SCHEMBL476321

SCHEMBL476321

COc1c(C(=O)O)sc(Br)c1Br

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 10/20 0.61
GPR35 Q9HC97 5/20 0.47
HSD17B10 Q99714 1/20 0.38
TPMT P51580 1/20 0.37
PTPRC P08575 2/20 0.36
PTPN2 P17706 2/20 0.36
ALDH1A1 P00352 1/20 0.33
HPGD P15428 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
SCHEMBL1760858 0.82 GPR35 (0.49) PTPN1GPR35HSD17B10TPMTPTPRC
SCHEMBL2682770 0.82 MAPT (0.48) PTPN1GPR35HSD17B10ALDH1A1HPGD
SCHEMBL4066722 0.81 PTPN1 (0.41) PTPN1GPR35HSD17B10TPMTPTPRC
SCHEMBL2761037 0.78 CA1 (0.39) PTPN1HSD17B10TPMTALDH1A1HPGD
SCHEMBL3908645 0.78 PTPN1 (0.71) PTPN1PTPRCPTPN2
SCHEMBL3908732 0.77 PTPN1 (0.53) PTPN1GPR35PTPRCPTPN2
Hydrochloric Acid SCHEMBL11597062 0.76 CA1 (0.38) PTPN1HSD17B10TPMTALDH1A1HPGD
SCHEMBL3913634 0.76 PTPN1 (0.56) PTPN1GPR35PTPRCPTPN2
SCHEMBL4582179 0.73 GPR35 (0.54) PTPN1GPR35PTPRCPTPN2ALDH1A1
SCHEMBL6262160 0.73 PTPN1 (0.71) PTPN1GPR35PTPRCPTPN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117616011-A Inhibitors of transglutaminase 策迪拉有限公司 2024-02-27 CN disclosed
WO-2023110138-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2023-06-22 WO disclosed
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