SCHEMBL539699

SCHEMBL539699

CC(=O)Nc1ccc(S(=O)(=O)Cl)c(C)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.73
LMNA P02545 1/20 0.52
MAPT P10636 3/20 0.52
TP53 P04637 1/20 0.52
CDK1 P06493 1/20 0.51
PKM P14618 3/20 0.50
TDP1 Q9NUW8 1/20 0.47
ATAD2 Q6PL18 1/20 0.47
CECR2 Q9BXF3 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HSD17B10 Q99714 1/20 0.46
ENPP2 Q13822 1/20 0.46
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
MAOA P21397 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45

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
SCHEMBL5321053 0.90 HSD17B10 (0.65) ALDH1A1LMNAMAPTTP53PKM
SCHEMBL6771522 0.87 ALDH1A1 (0.59) ALDH1A1MAPTCDK1PKMTDP1
SCHEMBL2318661 0.85 ALDH1A1 (1.00) ALDH1A1LMNAMAPTTP53CDK1
SCHEMBL14502114 0.85 ALDH1A1 (0.76) ALDH1A1LMNAMAPTTP53CDK1
Hydrochloric Acid SCHEMBL7531560 0.83 ALDH1A1 (0.73) ALDH1A1LMNAMAPTTP53CDK1
SCHEMBL6192129 0.83 ALDH1A1 (0.73) ALDH1A1LMNAMAPTTP53CDK1
SCHEMBL24809088 0.82 ALDH1A1 (0.71) ALDH1A1LMNAMAPTTP53CDK1
SCHEMBL686781 0.82 ALDH1A1 (0.54) ALDH1A1LMNAMAPTCDK1ATAD2
SCHEMBL6770516 0.82 ALDH1A1 (0.54) ALDH1A1LMNAMAPTCDK1ATAD2
SCHEMBL2314592 0.81 ALDH1A1 (0.69) ALDH1A1LMNAMAPTTP53CDK1

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220024928-A1 3-(PHENYLSULFONYL)-[1,2,3]TRIAZOLO[1,5A]QUINAZOLIN-5(4H)-ONE DERIVATIVES BioVersys AG (CH) 2022-01-27 US disclosed
WO-2020109350-A1 3-(PHENYLSULFONYL)-[1,2,3]TRIAZOLO[1,5A]QUINAZOLIN-5(4H)-ONE DERIVATIVES BioVersys AG (CH) 2020-06-04 WO disclosed
EP-2758399-B1 N-[4-(1H-PYRAZOLO[3,4-B]PYRAZIN-6-YL)-PHENYL]-SULFONAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2017-11-15 EP disclosed
EP-2341140-B1 Enzymatic encoding methods for efficient synthesis of large libraries NUEVOLUTION AS (DK) 2017-07-19 EP disclosed
US-20160175304-A1 N-[4-(1H-PYRAZOLO[3,4-b]PYRAZIN-6-YL)-PHENYL]-SULFONAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2016-06-23 US disclosed
US-9221828-B2 N-[4-(1H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]sulfonamides as pharmaceuticals SANOFI (FR) 2015-12-29 US disclosed
US-9174993-B2 N-[4-(1H-pyrazolo[3,4-b]pyrazin-6-yl)-phenyl]-sulfonamides and their use as pharmaceuticals SANOFI (FR) 2015-11-03 US disclosed
US-9175003-B2 Substituted azoanthracene derivatives and intermediates for preparation thereof VTV THERAPEUTICS LLC (US) 2015-11-03 US disclosed
EP-2413693-B1 SUBSTITUTED AZOANTHRACENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF VTV THERAPEUTICS LLC (US) 2015-09-09 EP disclosed
EP-2570415-B1 N-[4-(1H-Pyrazolo[3,4-b]pyrazin-6-yl)-phenyl]-sulfonamides and their use as pharmaceuticals SANOFI SA (FR) 2015-08-26 EP disclosed
EP-1954133-A2 PYRROLIDINEANILINES SMITHKLINE BEECHAM CORPORATION (US) 2008-08-13 EP disclosed
EP-1858890-A1 NOVEL ANTITHROMBOTIC SUBSTITUTED PYRROLIDINONES, THE PRODUCTION AND USE THEREOF IN THE FORM OF MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2007-11-28 EP disclosed
WO-2007065093-A2 PYRROLIDINEANILINES SMITHKLINE BEECHAM CORPORATION (US) 2007-06-07 WO disclosed
US-20060217435-A1 New Substituted Pyrrolidinones and Their Use as Medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-09-28 US disclosed
WO-2006089909-A1 NOVEL ANTITHROMBOTIC SUBSTITUTED PYRROLIDINONES, THE PRODUCTION AND USE THEREOF IN THE FORM OF MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-08-31 WO disclosed
EP-1360170-A1 CARBOXYLIC AMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-11-12 EP disclosed
EP-1360166-A1 SUPPORT FOR USE IN CATALYST FOR PRODUCING LOWER ALIPHATIC CARBOXYLIC ACID ESTER, CATALYST FOR PRODUCING LOWER ALIPHATIC CARBOXYLIC ACID ESTER USING THE SUPPORT, PROCESS FOR PRODUCING THE CATALYST, AND PROCESS FOR PRODUCING LOWER ALIPHATIC CARBOXYLIC ACID ESTER USING THE CATALYST Showa Denko K.K. (JP) 2003-11-12 EP disclosed
US-20020151595-A1 Carboxylic acid amides having antithrombotic activity BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-10-17 US disclosed
WO-2002064541-A1 SUPPORT FOR USE IN CATALYST FOR PRODUCING LOWER ALIPHATIC CARBOXYLIC ACID ESTER, CATALYST FOR PRODUCING LOWER ALIPHATIC CARBOXYLIC ACID ESTER USING THE SUPPORT, PROCESS FOR PRODUCING THE CATALYST, AND PROCESS FOR PRODUCING LOWER ALIPHATIC CARBOXYLIC ACID ESTER USING THE CATALYST SHOWA DENKO K. K. (JP) 2002-08-22 WO disclosed
WO-2002062748-A1 CARBOXYLIC AMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-08-15 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 (4 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-20060217435-A1 New Substituted Pyrrolidinones and Their Use as Medicaments PYCR1, S100A9, REV1 ALDH1A1 1594/4885LMNA 1767/4885MAPT 632/4885
US-20220024928-A1 3-(PHENYLSULFONYL)-[1,2,3]TRIAZOLO[1,5A]QUINAZOLIN-5(4H)-ONE DERIVATIVES OR10J3, ORC3, CBR3 ALDH1A1 1547/4885LMNA 3949/4885MAPT 4658/4885
US-20160175304-A1 N-[4-(1H-PYRAZOLO[3,4-b]PYRAZIN-6-YL)-PHENYL]-SULFONAMIDES AND THEIR USE AS PHARMACEUTICALS SGK1, SGK3, SGK2 ALDH1A1 2371/4885LMNA 3124/4885MAPT 3688/4885
US-20020151595-A1 Carboxylic acid amides having antithrombotic activity SERPINC1, TFPI, F2 ALDH1A1 112/4885LMNA 1147/4885MAPT 4378/4885

“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.