SCHEMBL269897

SCHEMBL269897

Cc1ccc(-c2ccccc2C(=O)O)cc1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.57
MYC P01106 1/20 0.56
ALDH1A1 P00352 4/20 0.56
CYP1A2 P05177 1/20 0.51
LDHA P00338 1/20 0.50
PTPN11 Q06124 1/20 0.49
ALPL P05186 1/20 0.47
CA9 Q16790 1/20 0.47
KDM4E B2RXH2 1/20 0.47
USP2 O75604 1/20 0.47
TSHR P16473 1/20 0.47
LTB4R2 Q9NPC1 1/20 0.47
NPC1 O15118 1/20 0.46
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
ACMSD Q8TDX5 1/20 0.45
CAMKK2 Q96RR4 1/20 0.45
ALOX15 P16050 1/20 0.45
CES2 O00748 1/20 0.44

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
SCHEMBL23354547 0.85 FTO (0.53) MCL1MYCALDH1A1LDHAPTPN11
SCHEMBL17796995 0.85 ACMSD (0.53) MCL1MYCALDH1A1LDHAPTPN11
SCHEMBL27758304 0.84 BCAT2 (0.59) MCL1MYCALDH1A1KDM4ETSHR
SCHEMBL5103351 0.82 ERN1 (0.58) MCL1MYCALDH1A1PTPN11KDM4E
SCHEMBL24183987 0.81 MCL1 (0.61) MCL1ALDH1A1CYP1A2ALPLCA9
SCHEMBL30292805 0.80 HNF4A (0.63) MYCALDH1A1CA9KDM4ELTB4R2
SCHEMBL18759613 0.80 HNF4A (0.63) MYCALDH1A1CA9KDM4ELTB4R2
SCHEMBL5216747 0.80 TSHR (0.55) MCL1MYCALDH1A1TSHRNPC1
SCHEMBL15606222 0.80 MCL1 (0.51) MCL1MYCALDH1A1LDHAPTPN11
SCHEMBL2533703 0.80 TSHR (0.55) MCL1MYCTSHRNPC1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6552022-B1 Atherosclerosis in a mammal, pancreatitis, non-insulin dependent diabetes mellitus, coronary heart disease in a lowering serum lipid levels SMITHKLINE BEECHAM CORPORATION 2003-04-22 US claimed
EP-1135378-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS APOB-100 SECRETION INHIBITORS GLAXO GROUP LIMITED (GB) 2001-09-26 EP claimed
WO-2000032582-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS APOB-100 SECRETION INHIBITORS GLAXO GROUP LIMITED (GB) 2000-06-08 WO claimed
EP-2318367-B1 PIPERIDINE AND PYRROLIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2013-03-20 EP disclosed
US-8236964-B2 Thiazolidine derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2012-08-07 US disclosed
US-8133901-B2 3-heteroaryl (amino or amido)-1-(biphenyl or phenylthiazolyl) carbonylpiperidine derivatives as orexin receptor inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2012-03-13 US disclosed
US-8063099-B2 Trans-3-aza-bicyclo[3.1.0]hexane derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2011-11-22 US disclosed
US-7994336-B2 Azetidine compounds as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2011-08-09 US disclosed
EP-2318367-A1 PIPERIDINE AND PYRROLIDINE COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2011-05-11 EP disclosed
US-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-05 US disclosed
EP-2069332-B1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-03-02 EP disclosed
US-20060058372-A1 N-Benzodioxolyl, n-benzodioxanyl and n-benzodioxepinyl arylcarboxamide derivatives and pharmaceutical compositions comprising them MERCK PATENT GMBH (DE) 2006-03-16 US disclosed
EP-1554263-A1 N-BENZODIOXOLYL, N-BENZODIOXANYL AND N-BENZODIOXEPINYL ARYLCARBONXAMIDE DERIVATIVES, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM MERCK PATENT GmbH (DE) 2005-07-20 EP disclosed
WO-2004037806-A1 N-BENZODIOXOLYL, N-BENZODIOXANYL AND N-BENZODIOXEPINYL ARYLCARBONXAMIDE DERIVATIVES, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM MERCK PATENT GMBH (DE) 2004-05-06 WO disclosed
US-20040044008-A1 Use of therapeutic benzamide derivatives DAUGAN ALAIN CLAUDE-MARIE (FR) 2004-03-04 US disclosed
US-6552022-B1 Atherosclerosis in a mammal, pancreatitis, non-insulin dependent diabetes mellitus, coronary heart disease in a lowering serum lipid levels SMITHKLINE BEECHAM CORPORATION 2003-04-22 US disclosed
EP-1286670-A2 USE OF THERAPEUTIC BENZAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-03-05 EP disclosed
WO-2001097810-A2 USE OF THERAPEUTIC BENZAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2001-12-27 WO disclosed
EP-1135378-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS APOB-100 SECRETION INHIBITORS GLAXO GROUP LIMITED (GB) 2001-09-26 EP disclosed
WO-2000032582-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS APOB-100 SECRETION INHIBITORS GLAXO GROUP LIMITED (GB) 2000-06-08 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 (3 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-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR MCL1 4489/4885MYC 4621/4885ALDH1A1 690/4885
US-20060058372-A1 N-Benzodioxolyl, n-benzodioxanyl and n-benzodioxepinyl arylcarboxamide derivatives and pharmaceutical compositions comprising them TBXAS1, PCSK9, APOB MCL1 4655/4885MYC 4769/4885ALDH1A1 1772/4885
US-20040044008-A1 Use of therapeutic benzamide derivatives MTTP, LIPC, CETP MCL1 3271/4885MYC 3834/4885ALDH1A1 379/4885

“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.