SCHEMBL10192014

SCHEMBL10192014

C=CCOC(=O)Nc1cccc(C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
RXFP1 Q9HBX9 1/20 0.53
MAPK1 P28482 3/20 0.52
ALDH1A1 P00352 3/20 0.52
FAAH O00519 1/20 0.52
CYP3A4 P08684 1/20 0.52
LMNA P02545 2/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
HTT P42858 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
AGPAT2 O15120 1/20 0.50
MAPT P10636 1/20 0.50
NPC1 O15118 1/20 0.49
TP53 P04637 1/20 0.49
NFKB1 P19838 1/20 0.49
RAB9A P51151 1/20 0.49
NFKB2 Q00653 1/20 0.49

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
SCHEMBL11874201 0.83 RAB9A (0.57) HSD17B10MEN1KMT2AMAPK1CYP3A4
SCHEMBL3424143 0.83 MAPK1 (0.69) HSD17B10MEN1KMT2AMAPK1ALDH1A1
SCHEMBL1127078 0.82 RAB9A (0.67) HSD17B10MEN1KMT2AMAPK1ALDH1A1
SCHEMBL7116824 0.81 TGM2 (0.54) HSD17B10MEN1KMT2AALDH1A1LMNA
SCHEMBL23009285 0.81 MEN1 (0.48) HSD17B10MEN1KMT2AMAPK1ALDH1A1
SCHEMBL28058783 0.81 HSD17B10 (0.69) HSD17B10MEN1KMT2ARXFP1MAPK1
SCHEMBL11859183 0.81 LMNA (0.57) HSD17B10MEN1KMT2AMAPK1ALDH1A1
SCHEMBL160077 0.81 NPC1 (0.54) HSD17B10MEN1KMT2AMAPK1CYP3A4
SCHEMBL11254034 0.81 MAPK1 (0.49) MEN1KMT2AMAPK1ALDH1A1FAAH
SCHEMBL12994614 0.80 HSD17B10 (0.57) HSD17B10MEN1KMT2ARXFP1MAPK1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170073341-A1 Benzene Sulfonamide Thiazole and Oxazole Compounds NOVARTIS AG (CH) 2017-03-16 US disclosed
US-20160068523-A1 Benzene Sulfonamide Thiazole and Oxazole Compounds NOVARTIS AG (CH) 2016-03-10 US disclosed
US-9233956-B2 Benzene sulfonamide thiazole and oxazole compounds NOVARTIS AG (CH) 2016-01-12 US disclosed
US-20140080851-A1 Benzene Sulfonamide Thiazole and Oxazole Compounds GLAXOSMITHKLINE LLC (US) 2014-03-20 US disclosed
US-8642759-B2 Benzene sulfonamide thiazole and oxazole compounds GLAXOSMITHKLINE LLC (US) 2014-02-04 US disclosed
US-20130144055-A1 Benzene Sulfonamide Thiazole And Oxazole Compounds GLAXOSMITHKLINE LLC (US) 2013-06-06 US disclosed
US-8415345-B2 Benzene sulfonamide thiazole and oxazole compounds Glaxo SmithKline LLC (US) 2013-04-09 US disclosed
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2011-11-03 US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 US disclosed
US-7994185-B2 Benzene sulfonamide thiazole and oxazole compounds Glaxo Smith Kline LLC (US) 2011-08-09 US disclosed
US-20110172215-A1 Benzene Sulfonamide Thiazole And Oxazole Compounds NOVARTIS AG (CH) 2011-07-14 US disclosed
US-7973069-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-07-05 US disclosed
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-11-18 US disclosed
US-20090298815-A1 Benzene Sulfonamide Thiazole and Oxazole Compounds NOVARTIS AG (CH) 2009-12-03 US disclosed
US-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus PTC THERAPEUTICS, INC. 2008-04-24 US disclosed
WO-2007084435-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO 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 (11 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-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus EIF2AK2, INMT, IDO1 HSD17B10 2200/4885MEN1 4550/4885KMT2A 1335/4885
US-20110172215-A1 Benzene Sulfonamide Thiazole And Oxazole Compounds STS, TST, TPST2 HSD17B10 2282/4885MEN1 3639/4885KMT2A 2622/4885
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, LIPC, HCCS HSD17B10 535/4885MEN1 4825/4885KMT2A 4617/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS HSD17B10 886/4885MEN1 4815/4885KMT2A 3974/4885
US-20170073341-A1 Benzene Sulfonamide Thiazole and Oxazole Compounds STS, TST, TPST2 HSD17B10 2282/4885MEN1 3639/4885KMT2A 2622/4885
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS HSD17B10 1276/4885MEN1 4800/4885KMT2A 4464/4885
US-20160068523-A1 Benzene Sulfonamide Thiazole and Oxazole Compounds STS, TST, TPST2 HSD17B10 2282/4885MEN1 3639/4885KMT2A 2622/4885
US-20140080851-A1 Benzene Sulfonamide Thiazole and Oxazole Compounds STS, TST, TPST2 HSD17B10 2282/4885MEN1 3639/4885KMT2A 2622/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS HSD17B10 1276/4885MEN1 4800/4885KMT2A 4464/4885
US-20130144055-A1 Benzene Sulfonamide Thiazole And Oxazole Compounds STS, TST, TPST2 HSD17B10 2282/4885MEN1 3639/4885KMT2A 2622/4885
US-20090298815-A1 Benzene Sulfonamide Thiazole and Oxazole Compounds STS, TST, TPST2 HSD17B10 2282/4885MEN1 3639/4885KMT2A 2622/4885

“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.