SCHEMBL8985258

SCHEMBL8985258

CC(=O)c1cc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(F)c(F)c2)s1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.52
PTGS2 P35354 18/20 0.51
PTGS1 P23219 4/20 0.50
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
SCHEMBL8985483 0.87 PTGS2 (0.48) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985212 0.85 PTGS2 (0.52) MAPK14PTGS2PTGS1KDM4EMT-CO1
SCHEMBL8985370 0.81 MAPK14 (0.53) MAPK14PTGS2PTGS1KDM4E
SCHEMBL8985453 0.80 OPRD1 (0.62) MAPK14PTGS2PTGS1KDM4EMT-CO1
SCHEMBL8985490 0.77 PTGS2 (0.67) MAPK14PTGS2PTGS1KDM4EMT-CO1
SCHEMBL8985302 0.76 PTGS2 (0.66) MAPK14PTGS2PTGS1KDM4EMT-CO1
SCHEMBL8985461 0.76 PTGS2 (0.68) MAPK14PTGS2PTGS1KDM4EMT-CO1
SCHEMBL8985516 0.75 MAPK14 (0.83) MAPK14PTGS2PTGS1KDM4EMT-CO1
SCHEMBL8985481 0.75 MAPK14 (0.65) MAPK14PTGS2PTGS1KDM4EMT-CO1

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