SCHEMBL549435

SCHEMBL549435

[c]1nc(-c2ccco2)cs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.50
HSD17B10 Q99714 6/20 0.50
CYP19A1 P11511 1/20 0.44
ALDH1A1 P00352 10/20 0.42
KDM4E B2RXH2 7/20 0.42
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
BLM P54132 5/20 0.42
ALOX15 P16050 5/20 0.42
RAB9A P51151 4/20 0.42
PKM P14618 4/20 0.42
POLB P06746 3/20 0.42
HPGD P15428 3/20 0.42
NPC1 O15118 3/20 0.42
LMNA P02545 2/20 0.42
CASP1 P29466 2/20 0.42
PTPN7 P35236 2/20 0.42
RECQL P46063 2/20 0.42
CASP7 P55210 2/20 0.42
TDP1 Q9NUW8 2/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL718110 0.71 CYP1A2 (0.34) MAPTCYP19A1KDM4ERAB9ANPC1
SCHEMBL9316319 0.69 PTK2 (0.42) MEN1KMT2APKMLMNA
SCHEMBL13528568 0.68 ALDH1A1 (0.68) MAPTHSD17B10ALDH1A1KDM4EMEN1
SCHEMBL1567560 0.67 NPC1 (0.58) MAPTCYP19A1ALDH1A1KDM4ERAB9A
SCHEMBL1435684 0.67 NPC1 (0.61) MAPTKDM4EMEN1KMT2ARAB9A
SCHEMBL70645 0.67 ALDH1A1 (0.42) MAPTHSD17B10ALDH1A1KDM4EMEN1
SCHEMBL7253210 0.67 CYP19A1 (0.72) MAPTHSD17B10CYP19A1ALDH1A1KDM4E
SCHEMBL536974 0.67 KDM4E (0.56) MAPTHSD17B10CYP19A1ALDH1A1KDM4E
SCHEMBL653613 0.67 MAPT (1.00) MAPTHSD17B10CYP19A1ALDH1A1KDM4E
SCHEMBL2675050 0.67 KDM4E (0.43) MAPTHSD17B10CYP19A1ALDH1A1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 57 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2844645-A1 SUBSTITUTED 4-AMINOBENZAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2015-03-11 EP claimed
WO-2013156155-A1 SUBSTITUTED 4-AMINOBENZAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-10-24 WO claimed
EP-2609092-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION Boehringer Ingelheim International GmbH (DE) 2013-07-03 EP claimed
US-8193207-B2 Lactam compounds and methods of using the same INCYTE CORPORATION (US) 2012-06-05 US claimed
EP-2450351-A1 Lactam compounds and their use as pharmaceuticals Incyte Corporation (US) 2012-05-09 EP claimed
WO-2012027322-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-01 WO claimed
US-8110581-B2 Lactam compounds and their use as pharmaceuticals INCYTE CORPORATION (US) 2012-02-07 US claimed
EP-1831174-B1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2011-03-02 EP claimed
US-20090291946-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2009-11-26 US claimed
EP-1957494-A2 LACTAM COMPOUNDS AND METHODS OF USING THE SAME Incyte Corporation (US) 2008-08-20 EP claimed
WO-2007103719-A2 MODULATORS OF 11-β HYDROXYL STEROID DEHYDROGENASE TYPE 1, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USING THE SAME INCYTE CORPORATION (US) 2007-09-13 WO claimed
US-20070208001-A1 Modulators of 11- beta hydroxyl steroid dehydrogenase type 1, pharmaceutical compositions thereof, and methods of using the same INCYTE CORPORATION 2007-09-06 US claimed
EP-1812005-A2 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-08-01 EP claimed
WO-2007067504-A2 LACTAM COMPOUNDS AND METHODS OF USING THE SAME INCYTE CORPORATION (US) 2007-06-14 WO claimed
US-20070129345-A1 Lactam compounds and methods of using the same INCYTE CORPORATION 2007-06-07 US claimed
US-20060116382-A1 Lactam compounds and their use as pharmaceuticals INCYTE CORPORATION 2006-06-01 US claimed
WO-2006053024-A2 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-05-18 WO claimed
WO-2003068773-A1 PYRAZOLOPYRIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-08-21 WO claimed
EP-0985666-A1 Substituted indole compounds as COX-2 inhibitors PFIZER INC. (US) 2000-03-15 EP claimed
EP-3645525-A1 KINASE INHIBITORS AND METHODS FOR MAKING AND USING Rigel Pharmaceuticals, Inc. (US) 2020-05-06 EP disclosed
US-20200093852-A1 Methods of Treating Ocular Disorders Beta Therapeutics Pty Ltd (AU) 2020-03-26 US disclosed
WO-2019006126-A1 KINASE INHIBITORS AND METHODS FOR MAKING AND USING RIGEL PHARMACEUTICALS, INC. (US) 2019-01-03 WO disclosed
WO-2018177865-A1 COMPOUNDS FOR USE AS HEPARANASE INHIBITORS LEADIANT BIOSCIENCES SA IN LIQUIDAZIONE (CH) 2018-10-04 WO disclosed
WO-2018177861-A1 SYMMETRICAL TRIS-ARYL-AMIDE DERIVATIVES AND THEIR USE AS ANTI-HEPARANASE LEADIANT BIOSCIENCES SA IN LIQUIDAZIONE (CH) 2018-10-04 WO disclosed
WO-2018177857-A1 SYMMETRICAL 2-AMINOPHENYL-BENZAZOLYL-5-ACETATE COMPOUNDS AND THEIR USE AS ANTI-HEPARANASE LEADIANT BIOSCIENCES SA IN LIQUIDAZIONE (CH) 2018-10-04 WO disclosed
EP-3381906-A1 COMPOUNDS FOR USE AS HEPARANASE INHIBITORS Leadiant Biosciences SA (CH) 2018-10-03 EP disclosed
EP-3381907-A1 SYMMETRICAL 2-AMINOPHENYL-BENZAZOLYL-5-ACETATE COMPOUNDS AND THEIR USE AS ANTI-HEPARANASE Leadiant Biosciences SA (CH) 2018-10-03 EP disclosed
EP-3381898-A1 SYMMETRICAL TRIS-ARYL-AMIDE DERIVATIVES AND THEIR USE AS ANTI-HEPARANASE Leadiant Biosciences SA (CH) 2018-10-03 EP disclosed
EP-2609092-B1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2015-04-01 EP disclosed
US-8563570-B2 Lactam compounds and their use as pharmaceuticals INCYTE CORPORATION (US) 2013-10-22 US disclosed
EP-2609092-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION Boehringer Ingelheim International GmbH (DE) 2013-07-03 EP disclosed
US-8193207-B2 Lactam compounds and methods of using the same INCYTE CORPORATION (US) 2012-06-05 US disclosed
US-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2012-05-17 US disclosed
EP-2450351-A1 Lactam compounds and their use as pharmaceuticals Incyte Corporation (US) 2012-05-09 EP disclosed
WO-2012027322-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-01 WO disclosed
US-8110581-B2 Lactam compounds and their use as pharmaceuticals INCYTE CORPORATION (US) 2012-02-07 US disclosed
US-20110104173-A1 INHIBITION OF DEGRADATION OF EXTRACELLULAR MATRIX THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 2011-05-05 US disclosed
US-20090291946-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2009-11-26 US disclosed
EP-1957494-A2 LACTAM COMPOUNDS AND METHODS OF USING THE SAME Incyte Corporation (US) 2008-08-20 EP disclosed
WO-2007103719-A2 MODULATORS OF 11-β HYDROXYL STEROID DEHYDROGENASE TYPE 1, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USING THE SAME INCYTE CORPORATION (US) 2007-09-13 WO disclosed
US-20070208001-A1 Modulators of 11- beta hydroxyl steroid dehydrogenase type 1, pharmaceutical compositions thereof, and methods of using the same INCYTE CORPORATION 2007-09-06 US disclosed
EP-1812005-A2 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-08-01 EP disclosed
WO-2007067504-A2 LACTAM COMPOUNDS AND METHODS OF USING THE SAME INCYTE CORPORATION (US) 2007-06-14 WO disclosed
EP-1000040-B1 IL-5 INHIBITING 6-AZAURACIL DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2007-06-13 EP disclosed
US-20070129345-A1 Lactam compounds and methods of using the same INCYTE CORPORATION 2007-06-07 US disclosed
US-20060116382-A1 Lactam compounds and their use as pharmaceuticals INCYTE CORPORATION 2006-06-01 US disclosed
WO-2006053024-A2 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-05-18 WO disclosed
US-20050090495-A1 Novel IL-5 inhibiting 6-azauracil derivatives for marking and identifying receptors and imaging organs LACRAMPE JEAN FERNAND ARMAND (FR) 2005-04-28 US disclosed
US-6867207-B2 IL-5 inhibiting 6-azauracil derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2005-03-15 US disclosed
WO-2003068773-A1 PYRAZOLOPYRIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-08-21 WO disclosed
US-5234946-A Anticholesterol, antilipemic BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-08-10 US disclosed
EP-0318860-B1 SUBSTITUTED ALKYLAMINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-06-16 EP disclosed
US-5182295-A Miticides, fungicides ROUSSEL UCLAF (FR) 1993-01-26 US disclosed
EP-0318860-A2 Substituted alkylamine derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-06-07 EP disclosed
EP-0016725-B1 PROCESS FOR THE PREPARATION OF 3-HYDROXYCEPHAM COMPOUNDS CIBA-GEIGY AG (CH) 1983-03-23 EP disclosed
EP-0055217-A2 Process for the preparation of derivatives of 7-beta-substituted 3-cephem-4-carboxylic acids not substituted in position 3 CIBA-GEIGY AG (CH) 1982-06-30 EP disclosed
US-4241172-A COLORFAST COUPLERS KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1980-12-23 US disclosed
US-4241172-A COLORFAST COUPLERS KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1980-12-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060116382-A1 Lactam compounds and their use as pharmaceuticals HSD11B1, HSD11B2, HSD17B1 MAPT 3735/4885HSD17B10 25/4885CYP19A1 32/4885
US-20200093852-A1 Methods of Treating Ocular Disorders ALDH1A2, HPSE, RB1 MAPT 1927/4885HSD17B10 1474/4885CYP19A1 4011/4885
US-20090291946-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS HSD11B1, HSD11B2, HSD17B1 MAPT 3735/4885HSD17B10 25/4885CYP19A1 32/4885
US-20110104173-A1 INHIBITION OF DEGRADATION OF EXTRACELLULAR MATRIX MMP1, RNASE1, MMP7 MAPT 4507/4885HSD17B10 1576/4885CYP19A1 4607/4885
US-20050090495-A1 Novel IL-5 inhibiting 6-azauracil derivatives for marking and identifying receptors and imaging organs CXCR5, HCAR3, IL6ST MAPT 4874/4885HSD17B10 844/4885CYP19A1 2336/4885
US-20070129345-A1 Lactam compounds and methods of using the same HSD11B1, HSD17B11, HSD17B1 MAPT 3944/4885HSD17B10 16/4885CYP19A1 25/4885
US-20070208001-A1 Modulators of 11- beta hydroxyl steroid dehydrogenase type 1, pharmaceutical compositions thereof, and methods of using the same HSD11B1, HSD17B1, HSD3B1 MAPT 4189/4885HSD17B10 20/4885CYP19A1 29/4885
US-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS HSD11B1, HSD11B2, HSD17B1 MAPT 3735/4885HSD17B10 25/4885CYP19A1 32/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.