SCHEMBL8985481

SCHEMBL8985481

CCS(=O)(=O)c1ccc(-c2cc(C(C)=O)sc2-c2ccc(F)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.65
PTGS2 P35354 13/20 0.58
PTGS1 P23219 5/20 0.58
KDM4E B2RXH2 1/20 0.50
MT-CO1 P00395 1/20 0.50
MT-CO2 P00403 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL8985321 0.87 MAPK14 (0.68) MAPK14PTGS2PTGS1KDM4EMT-CO1
SCHEMBL8985371 0.87 PTGS2 (0.57) MAPK14PTGS2PTGS1KDM4EMT-CO1
SCHEMBL8985301 0.87 PTGS2 (0.55) MAPK14PTGS2PTGS1KDM4EMT-CO1
SCHEMBL8985516 0.87 MAPK14 (0.83) MAPK14PTGS2PTGS1KDM4EMT-CO1
SCHEMBL8985250 0.80 MAPK14 (0.73) MAPK14PTGS2PTGS1KDM4EMT-CO1
SCHEMBL8985185 0.80 MAPK14 (0.65) MAPK14PTGS2PTGS1KDM4EMT-CO1
SCHEMBL17542551 0.79 MAPK14 (1.00) MAPK14PTGS2PTGS1
SCHEMBL8985442 0.79 MAPK14 (0.64) MAPK14PTGS2PTGS1KDM4EMT-CO1
SCHEMBL8985339 0.79 MAPK14 (0.67) MAPK14PTGS2PTGS1KDM4EMT-CO1
SCHEMBL8985383 0.78 MAPK14 (0.70) MAPK14PTGS2PTGS1KDM4E

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
US-5571810-A ANTIINFLAMMATORY AGENTS, ANALGESICS, COLLAGEN DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-11-05 US disclosed
EP-0593761-A1 NEW THIOPHENE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-04-27 EP disclosed
WO-1991019708-A1 NEW THIOPHENE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-12-26 WO disclosed