SCHEMBL476185

SCHEMBL476185

COc1c(C(=O)O)sc(-c2ccc(Cl)cc2Cl)c1Br

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 11/20 0.44
MARS1 P56192 2/20 0.41
SRD5A2 P31213 1/20 0.41
PTPRC P08575 2/20 0.40
PTPN2 P17706 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
MRGPRX4 Q96LA9 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
TTR P02766 1/20 0.38

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
SCHEMBL2696570 0.89 ALPL (0.46) PTPN1ALDH1A1HPGDMRGPRX4KDM4E
SCHEMBL476338 0.84 PTPN1 (0.47) PTPN1PTPRCPTPN2ALDH1A1HPGD
SCHEMBL476369 0.82 SRD5A2 (0.45) PTPN1MARS1SRD5A2ALDH1A1HPGD
SCHEMBL12483906 0.74 ALPL (0.44) HPGDMRGPRX4KDM4EMAPT
SCHEMBL2698949 0.73 GRM6 (0.43) PTPN1ALDH1A1HPGDKDM4EMAPT
SCHEMBL1851230 0.72 OPRD1 (0.57) PTPN1MARS1SRD5A2ALDH1A1HPGD
SCHEMBL2682560 0.72 TP53 (0.48) MARS1ALDH1A1KDM4EMAPT
SCHEMBL3559754 0.72 SRD5A2 (0.41) MARS1SRD5A2KDM4EMAPT
SCHEMBL4066722 0.71 PTPN1 (0.41) PTPN1PTPRCPTPN2ALDH1A1HPGD
SCHEMBL3549304 0.70 SRD5A2 (0.45) PTPN1MARS1SRD5A2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411383-B1 DERIVATIVES OF 3-ALKOXY-4,5-DIARYLTHIOPHENE-2-CARBOXAMIDE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-10-22 EP disclosed
EP-2411383-A1 DERIVATIVES OF 3-ALKOXY-4,5-DIARYLTHIOPHENE-2-CARBOXAMIDE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-01 EP disclosed
WO-2010109150-A1 DERIVATIVES OF 3-ALKOXY-4,5-DIARYLTHIOPHENE-2-CARBOXAMIDE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-09-30 WO disclosed