SCHEMBL5314898

SCHEMBL5314898

COc1ccc(-c2c(C)ccn2-c2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.60
PTGS1 P23219 7/20 0.60

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
SCHEMBL5309003 1.00 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL5309164 0.88 CA1 (0.55) PTGS2PTGS1
SCHEMBL5312580 0.86 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL5308952 0.85 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL5309162 0.83 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL5316308 0.83 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL27481219 0.80 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL5312437 0.77 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL5311642 0.77 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL5964968 0.77 PTGS2 (0.59) PTGS2PTGS1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799823-B1 1,2-Diphenylpyrrole derivatives, their preparation and their therapeutic uses DAIICHI SANKYO CO LTD (JP) 2007-10-31 EP disclosed
US-RE39420-E1 1,2-Diphenylpyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-12-05 US disclosed
US-5908858-A OSTEOPOROSIS; LEUKOTRIENE INHIBITOR SANKYO COMPANY, LIMITED (JP) 1999-06-01 US disclosed
EP-0799823-A1 1,2-Diphenylpyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY LIMITED (JP) 1997-10-08 EP disclosed