SCHEMBL8985254

SCHEMBL8985254

COc1ccc(-c2ccsc2-c2ccc(F)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.64
PTGS1 P23219 11/20 0.63
MAPK14 Q16539 1/20 0.61
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL1181119 0.91 PTGS2 (0.73) PTGS2PTGS1MAPK14
Ammonia Solution, Strong SCHEMBL23908221 0.90 PTGS2 (0.71) PTGS2PTGS1MAPK14
SCHEMBL10843937 0.86 MAPK14 (0.79) PTGS2PTGS1MAPK14
SCHEMBL7167117 0.83 PTGS2 (0.64) PTGS2PTGS1MAPK14
SCHEMBL28254055 0.83 PTGS2 (0.64) PTGS2PTGS1MAPK14RAB9A
SCHEMBL6517923 0.81 PTGS1 (0.68) PTGS2PTGS1MAPK14
SCHEMBL6513427 0.78 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL1181221 0.78 PTGS2 (0.57) PTGS2
SCHEMBL8985431 0.77 PTGS1 (1.00) PTGS2PTGS1MAPK14
SCHEMBL10567384 0.77 PTGS1 (1.00) PTGS2PTGS1MAPK14

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