SCHEMBL476338

SCHEMBL476338

COc1c(C(=O)O)sc(-c2ccccc2Cl)c1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 14/20 0.47
PTPRC P08575 2/20 0.47
PTPN2 P17706 2/20 0.47
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42
TUBA1C Q9BQE3 1/20 0.42
TUBB6 Q9BUF5 1/20 0.42
TUBB2B Q9BVA1 1/20 0.42
TUBB1 Q9H4B7 1/20 0.42
GRM6 O15303 1/20 0.41
NPC1 O15118 2/20 0.39

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
SCHEMBL2698949 0.88 GRM6 (0.43) PTPN1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL476185 0.84 PTPN1 (0.44) PTPN1PTPRCPTPN2ALDH1A1KDM4E
SCHEMBL476241 0.80 TP53 (0.41) PTPN1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL12482976 0.73 GRM6 (0.49) GRM6NPC1RAB9AALDH1A1KDM4E
SCHEMBL2696570 0.73 ALPL (0.46) PTPN1NPC1RAB9AALDH1A1KDM4E
SCHEMBL4066722 0.73 PTPN1 (0.41) PTPN1PTPRCPTPN2ALDH1A1KDM4E
SCHEMBL1847221 0.70 OPRD1 (0.59) NPC1RAB9AKDM4ESMN1; SMN2MEN1
SCHEMBL476321 0.69 PTPN1 (0.61) PTPN1PTPRCPTPN2ALDH1A1HSD17B10
SCHEMBL2682815 0.69 TP53 (0.48) PTPN1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1760858 0.68 GPR35 (0.49) PTPN1PTPRCPTPN2ALDH1A1HSD17B10

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