SCHEMBL8985473

SCHEMBL8985473

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.56
PTGS2 P35354 9/20 0.51
PTGS1 P23219 3/20 0.51
HSD17B10 Q99714 2/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
PRKCZ Q05513 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
OPRD1 P41143 1/20 0.45
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 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
SCHEMBL8985275 0.86 MAPK14 (0.53) MAPK14PTGS2PTGS1PRKCZGAA
SCHEMBL8985434 0.84 MAPK14 (0.52) MAPK14PTGS2PTGS1HSD17B10ALDH1A1
SCHEMBL8985304 0.83 PTGS2 (0.55) MAPK14PTGS2PTGS1HSD17B10OPRD1
SCHEMBL8985407 0.83 MAPK14 (0.51) MAPK14PTGS2PTGS1HSD17B10ALDH1A1
SCHEMBL8985406 0.83 MAPK14 (0.51) MAPK14PTGS2PTGS1HSD17B10ALDH1A1
SCHEMBL8985268 0.83 MAPK14 (0.57) MAPK14PTGS2PTGS1HSD17B10ALDH1A1
SCHEMBL6018669 0.78 MAPK14 (0.65) MAPK14HSD17B10ALDH1A1MEN1NPC1
SCHEMBL7617599 0.76 PTGS2 (0.64) PTGS2PTGS1HSD17B10ALDH1A1NPC1
SCHEMBL8985217 0.76 PTGS2 (0.55) MAPK14PTGS2PTGS1HSD17B10ALDH1A1
SCHEMBL8985408 0.75 PTGS2 (0.52) MAPK14PTGS2PTGS1HSD17B10NPC1

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