SCHEMBL5311504

SCHEMBL5311504

COc1ccc(N=Cc2ccc(S(N)(=O)=O)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 17/20 1.00
▸ PTGS1 P23219 8/20 1.00
▸ CA2 P00918 7/20 1.00
▸ CA9 Q16790 5/20 1.00
▸ CA12 O43570 4/20 1.00
▸ CA1 P00915 5/20 0.76
▸ CA7 P43166 1/20 0.76

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
SCHEMBL1517619 1.00 PTGS2 (1.00) PTGS2PTGS1CA2CA9CA12
SCHEMBL5308961 1.00 PTGS2 (1.00) PTGS2PTGS1CA2CA9CA12
SCHEMBL5311501 1.00 PTGS2 (1.00) PTGS2PTGS1CA2CA9CA12
SCHEMBL11815957 0.88 PTGS2 (0.78) PTGS2PTGS1CA2CA9CA12
SCHEMBL5315004 0.86 PTGS2 (0.76) PTGS2PTGS1CA2CA9CA12
SCHEMBL5315002 0.86 PTGS2 (0.76) PTGS2PTGS1CA2CA9CA12
SCHEMBL5312634 0.84 PTGS2 (0.72) PTGS2PTGS1CA2CA9CA12
SCHEMBL5312631 0.84 PTGS2 (0.72) PTGS2PTGS1CA2CA9CA12
SCHEMBL10412841 0.83 S100B (0.82) PTGS2PTGS1CA2CA9CA12
SCHEMBL10733285 0.83 S100B (0.82) PTGS2PTGS1CA2CA9CA12

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
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