SCHEMBL8985406

SCHEMBL8985406

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.51
PTGS2 P35354 9/20 0.46
PTGS1 P23219 3/20 0.46
OPRD1 P41143 1/20 0.43
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
MT-CO1 P00395 1/20 0.42
MT-CO2 P00403 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
GHSR Q92847 1/20 0.38
ERN1 O75460 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
SCHEMBL8985434 0.89 MAPK14 (0.52) MAPK14PTGS2PTGS1OPRD1KDM4E
SCHEMBL8985524 0.86 MAPK14 (0.51) MAPK14PTGS2PTGS1OPRD1KDM4E
SCHEMBL8985469 0.85 AURKA (0.47) PTGS2PTGS1OPRD1KDM4EHPGD
SCHEMBL8985473 0.83 MAPK14 (0.56) MAPK14PTGS2PTGS1OPRD1KDM4E
SCHEMBL8985407 0.82 MAPK14 (0.51) MAPK14PTGS2PTGS1OPRD1KDM4E
SCHEMBL8985275 0.81 MAPK14 (0.53) MAPK14PTGS2PTGS1OPRD1GAA
SCHEMBL8985260 0.80 PTGS2 (0.65) PTGS2PTGS1KDM4EHPGDMT-CO1
SCHEMBL8985189 0.77 PTGS2 (0.49) PTGS2PTGS1KDM4EHPGDMT-CO1
SCHEMBL7617599 0.74 PTGS2 (0.64) PTGS2PTGS1OPRD1KDM4EHPGD
SCHEMBL8985532 0.73 MAPK14 (0.53) 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