SCHEMBL8985407

SCHEMBL8985407

CCOC(=O)c1cc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(N(C)C=O)cc2)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.51
PTGS2 P35354 11/20 0.44
PTGS1 P23219 3/20 0.44
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
OPRD1 P41143 1/20 0.41
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
MT-CO1 P00395 1/20 0.39
MT-CO2 P00403 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
PRKCI P41743 1/20 0.37
PRKCZ Q05513 1/20 0.37

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
SCHEMBL8985530 0.85 MAPK14 (0.52) MAPK14PTGS2PTGS1ALDH1A1GAA
SCHEMBL8985472 0.84 AURKA (0.48) PTGS2PTGS1OPRD1KDM4EHPGD
SCHEMBL8985473 0.83 MAPK14 (0.56) MAPK14PTGS2PTGS1ALDH1A1GAA
SCHEMBL8985434 0.83 MAPK14 (0.52) MAPK14PTGS2PTGS1ALDH1A1GAA
SCHEMBL8985406 0.82 MAPK14 (0.51) MAPK14PTGS2PTGS1ALDH1A1GAA
SCHEMBL8985275 0.81 MAPK14 (0.53) MAPK14PTGS2PTGS1GAAOPRD1
SCHEMBL8985262 0.77 PTGS2 (0.65) PTGS2PTGS1KDM4EHPGDMT-CO1
SCHEMBL8985195 0.76 PTGS2 (0.47) PTGS2PTGS1KDM4EHPGDMT-CO1
SCHEMBL8985217 0.73 PTGS2 (0.55) MAPK14PTGS2PTGS1ALDH1A1GAA
SCHEMBL8985408 0.73 PTGS2 (0.52) MAPK14PTGS2PTGS1OPRD1KDM4E

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