SCHEMBL11352015

SCHEMBL11352015

Cc1cccc(Nc2cscc2CC(=O)O)c1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.54
CXCL8 P10145 5/20 0.50
CLIC1 O00299 1/20 0.50
CLCN2 P51788 1/20 0.50
TTR P02766 2/20 0.44
ABCB11 O95342 2/20 0.44
PTGS1 P23219 2/20 0.44
NR1I3 Q14994 2/20 0.44
AKR1B10 O60218 1/20 0.44
UGT1A9 O60656 1/20 0.44
TRPA1 O75762 1/20 0.44
MT-CO2 P00403 1/20 0.44
ALB P02768 1/20 0.44
UGT1A6 P19224 1/20 0.44
UGT1A1 P22309 1/20 0.44
CXCR1 P25024 1/20 0.44
ADRA1A P35348 1/20 0.44
AGTR2 P50052 1/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
NR1H4 Q96RI1 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
SCHEMBL11347865 0.86 CXCL8 (0.55) PTGS2CXCL8CLIC1CLCN2TTR
SCHEMBL11349860 0.86 PTGS2 (0.52) PTGS2CXCL8ABCB11PTGS1AKR1B10
SCHEMBL8956861 0.84 PTGS2 (0.72) PTGS2CXCL8CLIC1CLCN2TTR
SCHEMBL8956419 0.84 PTGS2 (0.54) PTGS2CXCL8CLIC1CLCN2TTR
SCHEMBL1032123 0.83 PTGS2 (0.71) PTGS2CXCL8CLIC1CLCN2TTR
SCHEMBL11346663 0.83 P2RX7 (0.37) PTGS2CXCL8CLIC1CLCN2P2RX7
SCHEMBL11353757 0.83 PTGS2 (0.67) PTGS2CXCL8CLIC1CLCN2TTR
SCHEMBL11373588 0.83 P2RX7 (0.45) PTGS2CXCL8CLIC1CLCN2TTR
SCHEMBL11343147 0.82 P2RX7 (0.36) PTGS2CXCL8CLIC1CLCN2P2RX7
SCHEMBL11342054 0.82 CXCL8 (0.44) PTGS2CXCL8CLIC1CLCN2TTR

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-0005559-B1 PHENYLAMINOTHIOPHENE ACETIC ACIDS, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1981-11-04 EP disclosed
US-4272507-A Phenylaminothiophenacetic acids, their synthesis, compositions and use BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1981-06-09 US disclosed
EP-0005559-A1 Phenylaminothiophene acetic acids, process for their preparation and medicaments containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1979-11-28 EP disclosed