SCHEMBL8985446

SCHEMBL8985446

COc1ccc(-c2sc(C(=O)N(C)C)cc2-c2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.58
PTGS2 P35354 11/20 0.54
PTGS1 P23219 5/20 0.52
NTSR1 P30989 1/20 0.47
ATM Q13315 1/20 0.46
MC4R P32245 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MT-CO1 P00395 1/20 0.44
MT-CO2 P00403 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
EP300 Q09472 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
SCHEMBL8985408 0.92 PTGS2 (0.52) OPRD1PTGS2PTGS1KDM4EMT-CO1
SCHEMBL8985468 0.90 OPRD1 (0.70) OPRD1PTGS2PTGS1KDM4ECYP1A2
SCHEMBL8985453 0.87 OPRD1 (0.62) OPRD1PTGS2PTGS1NTSR1ATM
SCHEMBL8985290 0.86 PTGS2 (0.63) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985457 0.86 PTGS2 (0.63) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985509 0.86 PTGS2 (0.49) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985484 0.84 OPRD1 (0.62) OPRD1PTGS2PTGS1HPGDEP300
SCHEMBL8985361 0.84 OPRD1 (0.62) OPRD1PTGS2PTGS1NTSR1ATM
SCHEMBL8985492 0.84 OPRD1 (0.58) OPRD1PTGS2PTGS1NTSR1ATM
SCHEMBL8985230 0.82 OPRD1 (0.60) OPRD1PTGS2PTGS1ATMCYP1A2

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