SCHEMBL4078686

SCHEMBL4078686

CCc1csc(C(=O)O)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 6/20 0.42
DAO P14920 2/20 0.40
GSK3B P49841 2/20 0.38
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PTPRC P08575 1/20 0.36
PTPRG P23470 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 2/20 0.34
PKM P14618 1/20 0.34
MCL1 Q07820 2/20 0.34
BCL2L1 Q07817 1/20 0.34
GAA P10253 1/20 0.34
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
ABCC1 P33527 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL11325227 0.87 GPR35 (0.39) GPR35DAOGSK3BPOLBTDP1
SCHEMBL6596838 0.84 GPR35 (0.42) GPR35DAOGSK3BPOLBTDP1
SCHEMBL13887939 0.84 GSK3B (0.38) DAOGSK3BKDM4EGAA
SCHEMBL4885038 0.79 GPR35 (0.36) GPR35GSK3BPOLBTDP1L3MBTL1
SCHEMBL6629996 0.78 KMT2A (0.38) GPR35DAOGSK3BPOLBTDP1
SCHEMBL5207266 0.78 GSK3B (0.46) GPR35DAOGSK3BPOLBTDP1
SCHEMBL9405491 0.77 MEN1 (0.44) DAOL3MBTL1PTPRCKMT2AMCL1
SCHEMBL2470504 0.76 ALDH1A1 (0.44) GPR35DAOGSK3BPOLBTDP1
SCHEMBL27595406 0.76 GPR35 (0.31) GPR35PTPRCPTPRG
SCHEMBL3636522 0.75 L3MBTL1 (0.52) GPR35DAOGSK3BPOLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4201778-A 6-Acyloxy-1,4,6-pregnatrienes, their use as anti-inflammatory agents, methods for their manufacture, and 6-oxo-1,4-pregnadiene intermediates SCHERING CORPORATION (US) 1980-05-06 US claimed
US-8354418-B2 Thiazolyl-dihydro-quinazolines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-15 US disclosed
US-20090131424-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-21 US disclosed
US-7517995-B2 Thiazolyl-dihydro-cyclopentapyrazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-14 US disclosed
EP-2007772-A1 THIAZOLYL-DIHYDROQUINAZOLINES Boehringer Ingelheim International GmbH (DE) 2008-12-31 EP disclosed
US-20070259855-A1 THIAZOLYL-DIHYDRO-INDAZOLE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-08 US disclosed
WO-2007115932-A1 THIAZOLYL-DIHYDROQUINAZOLINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-18 WO disclosed
US-20070238746-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 US disclosed
US-20070238730-A1 THIAZOLYL-DIHYDRO-CYCLOPENTAPYRAZOLE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 US disclosed
US-20050226844-A1 Valency platform molecules comprising carbamate linkages LA JOLLA PHARMACEUTICAL COMPANY (US) 2005-10-13 US disclosed
US-6458953-B1 VALENCY PLATFORM MOLECULES WHICH ACT AS SCAFFOLDS TO WHICH ONE OR MORE MOLECULES MAY BE COVALENTLY TETHERED TO FORM A CONJUGATE. MORE PARTICULARLY, THE PRESENT INVENTION PERTAINS TO VALENCY PLATFORM MOLECULES WHICH COMPRISE A CARBAMATE LA JOLLA PHARMACEUTICAL COMPANY 2002-10-01 US disclosed
EP-1137628-A1 MOLECULAR SCAFFOLDS ACTING AS TEMPLATES COMPRISING CARBAMATE LINKAGES LA JOLLA PHARMACEUTICAL COMPANY (CA) 2001-10-04 EP disclosed
EP-1037905-A1 ANTIPICORNAVIRAL COMPOUNDS AND METHODS FOR THEIR USE AND PREPARATION AGOURON PHARMACEUTICALS, INC. (US) 2000-09-27 EP disclosed
WO-2000034231-A1 MOLECULAR SCAFFOLDS ACTING AS TEMPLATES COMPRISING CARBAMATE LINKAGES LA JOLLA PHARMACEUTICAL COMPANY (US) 2000-06-15 WO disclosed
US-5962487-A PICORNAVIRAL 3C PROTEASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1999-10-05 US disclosed
WO-1999031122-A9 ANTIPICORNAVIRAL COMPOUNDS AND METHODS FOR THEIR USE AND PREPARATION AGOURON PHARMA (US) 1999-09-30 WO disclosed
WO-1999031122-A1 ANTIPICORNAVIRAL COMPOUNDS AND METHODS FOR THEIR USE AND PREPARATION AGOURON PHARMACEUTICALS, INC. (US) 1999-06-24 WO disclosed
US-4965368-A USED FOR THIOLCARBAMATES ICI AMERICAS INC. (US) 1990-10-23 US disclosed
EP-0021759-A1 5-Substituted oxazolidines having herbicide antidote activity, production thereof, herbicidal compositions containing them, use thereof in preventing injury to crops and crop seeds coated therewith STAUFFER CHEMICAL COMPANY (US) 1981-01-07 EP disclosed
US-4201778-A 6-Acyloxy-1,4,6-pregnatrienes, their use as anti-inflammatory agents, methods for their manufacture, and 6-oxo-1,4-pregnadiene intermediates SCHERING CORPORATION (US) 1980-05-06 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 (5 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-20050226844-A1 Valency platform molecules comprising carbamate linkages NEDD8, CYP2C8, VIM GPR35 2879/4885DAO 135/4885GSK3B 3444/4885
US-20070259855-A1 THIAZOLYL-DIHYDRO-INDAZOLE ROR1, RORB, RORA GPR35 310/4885DAO 1544/4885GSK3B 322/4885
US-20070238746-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE CYP3A7, UGT2B7, UGT1A7 GPR35 525/4885DAO 657/4885GSK3B 644/4885
US-20090131424-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE CYP3A7, UGT2B7, UGT1A7 GPR35 525/4885DAO 657/4885GSK3B 644/4885
US-20070238730-A1 THIAZOLYL-DIHYDRO-CYCLOPENTAPYRAZOLE REN, ROR1, RORB GPR35 394/4885DAO 2101/4885GSK3B 429/4885

“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.