SCHEMBL3531804

SCHEMBL3531804

COc1ccc2c(C)[c]sc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
RXFP1 Q9HBX9 2/20 0.40
PRNP P04156 1/20 0.40
MAPK1 P28482 1/20 0.40
PPARG P37231 1/20 0.40
HTT P42858 1/20 0.40
MAPK10 P53779 1/20 0.40
NCOA2 Q15596 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PSMB8 P28062 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
MIF P14174 1/20 0.38
KDM4E B2RXH2 6/20 0.38
CES2 O00748 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 6/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL3533860 0.85 ALDH1A1 (0.42) TSHRHTTPSMB8PDE3BPDE3A
SCHEMBL21798536 0.80 TSHR (0.45) TSHRRXFP1PRNPMAPK1PPARG
SCHEMBL5544691 0.80 NPC1 (0.41) MAPK1KDM4ECYP1A2CYP3A4HSD17B10
SCHEMBL5541424 0.76 BCL2L1 (0.36) KDM4ECYP1A2CYP3A4MAPTALDH1A1
SCHEMBL28707149 0.76 APP (0.37) TSHRRXFP1PRNPMAPK1PPARG
SCHEMBL694832 0.75 CYP2A6 (0.41) TSHRRXFP1NPSR1KDM4ECYP3A4
SCHEMBL692940 0.73 ALDH1A1 (0.39) HTTMIFKDM4EMAPTPOLB
SCHEMBL5539667 0.70 KDM4E (0.38) TSHRRXFP1HTTMIFKDM4E
SCHEMBL10031374 0.68 HTT (0.51) TSHRRXFP1PRNPMAPK1PPARG
SCHEMBL4797361 0.68 ALDH1A1 (0.44) TSHRRXFP1PRNPMAPK1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1373233-B1 DERIVATIVES OF N-(ARYLSULFONYL)BETA-AMINOACIDS COMPRISING A SUBSTITUTED AMINOMETHYL GROUP, THE PREPARATION METHOD THEREOF AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI AVENTIS (FR) 2007-09-05 EP claimed
US-7157454-B2 Derivatives of n-(arylsulfonyl)beta-aminoacids comprising a substituted aminomethyl group, the preparation method thereof and the pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2007-01-02 US claimed
US-20040116353-A1 Derivatives of n-(arylsulfonyl)beta-aminoacids comprising a substituted aminomethyl group, the preparation method thereof and the pharmaceutical compositions containing same SANOFI (FR) 2004-06-17 US claimed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-7662811-B2 N-(((5R)-5-((1-methylethyl)amino)-5,6,7,8-tetrahydro-2-naphthalenyl)methyl)-2-((2R)-1-((4-methylphenyl)sulfonyl)-3-oxo-1,2,3,4-tetrahydro-2-pyrazinyl)acetamide; for treatment of pain and diseases, such as inflammation mediated diseases AMGEN INC. (US) 2010-02-16 US disclosed
US-7612060-B2 Triazoles and methods of use AMGEN INC. (US) 2009-11-03 US disclosed
US-20090054460-A1 Piperazine derivatives and methods of use CHEN JIAN J 2009-02-26 US disclosed
US-20090048224-A1 COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2009-02-19 US disclosed
US-7425631-B2 Compounds and methods of use AMGEN INC. (US) 2008-09-16 US disclosed
US-7393852-B2 Piperazine derivatives and methods of use AMGEN INC. (US) 2008-07-01 US disclosed
WO-2006019975-A1 1,2,3,4-TETRAHYDROPYRAZIN-2-YL ACETAMIDES AND THEIR USE AS BRADYKININ ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION RELATED DISORDERS AMGEN INC. (US) 2006-02-23 WO disclosed
US-20060025400-A1 1,2,3,4-Tetrahydropyrazin-2-yl acetamides and methods of use AMGEN INC. 2006-02-02 US disclosed
US-20050234044-A1 Cyclic amine derivatives and methods of use AMGEN INC. 2005-10-20 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
US-20050124654-A1 Compounds and methods of use AMGEN INC. 2005-06-09 US disclosed
US-20050014749-A1 analgesics; antiinflammatory agents; antiarthritic agents;Alzheimer's disease; cirrhosis; antiallergens; antihistamines ; anticancer agents; vision defects AMGEN INC. 2005-01-20 US disclosed
WO-2004092116-A1 BICYCLIC COMPOUNDS HAVING BRADYKININ RECEPTORS AFFINITY AND PHARMACEUTICAL COMPOSITIONS THEREOF AMGEN, INC. (US) 2004-10-28 WO disclosed
WO-2004092164-A1 CYCLIC AMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF INFLAMMATION-RELATED DISORDERS MEDIATED BY BRADYKININ AMGEN, INC. (US) 2004-10-28 WO disclosed
US-20040116353-A1 Derivatives of n-(arylsulfonyl)beta-aminoacids comprising a substituted aminomethyl group, the preparation method thereof and the pharmaceutical compositions containing same SANOFI (FR) 2004-06-17 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 (6 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-20050124654-A1 Compounds and methods of use LTC4S, PTGES, LTB4R2 TSHR 4705/4885RXFP1 2646/4885PRNP 1580/4885
US-20090048224-A1 COMPOUNDS AND METHODS OF USE LTC4S, PTGES, LTB4R2 TSHR 4705/4885RXFP1 2646/4885PRNP 1580/4885
US-20060025400-A1 1,2,3,4-Tetrahydropyrazin-2-yl acetamides and methods of use AADAC, PTGES2, LTC4S TSHR 4514/4885RXFP1 2135/4885PRNP 3224/4885
US-20090054460-A1 Piperazine derivatives and methods of use PTGES, PTGES2, PTGIS TSHR 4432/4885RXFP1 2937/4885PRNP 980/4885
US-20050234044-A1 Cyclic amine derivatives and methods of use PTGIS, BDKRB2, LTC4S TSHR 3739/4885RXFP1 1832/4885PRNP 1934/4885
US-20050014749-A1 analgesics; antiinflammatory agents; antiarthritic agents;Alzheimer's disease; cirrhosis; antiallergens; antihistamines ; anticancer agents; vision defects ACHE, TNF, BCHE TSHR 4822/4885RXFP1 2002/4885PRNP 156/4885

“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.