SCHEMBL7216754

SCHEMBL7216754

COc1c(F)cc(-n2cccc2-c2ccc(S(C)(=O)=O)cc2)cc1F

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.64
PTGS1 P23219 6/20 0.48

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
SCHEMBL7210319 0.90 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL7215325 0.89 PTGS2 (0.63) PTGS2PTGS1
SCHEMBL5308967 0.85 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL7210411 0.85 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL5314644 0.83 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL7215303 0.81 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL5311642 0.79 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL5312437 0.79 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL5314063 0.79 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5309608 0.79 PTGS2 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1369415-A1 Substituted pyrrolyl compounds for the treatment of inflammation G.D. SEARLE & CO. (US) 2003-12-10 EP disclosed
US-5935990-A PYRROLYL DERIVATIVES HAVING AT POSITION 1 OR 5 A PHENYL SUBSTITUTED WITH METHYLSULFONYL OR AMINOSULFONYL; INHIBIT CYCLOOXYGENASE-2 FOR USE TREATMENT OF INFLAMMATION, AS AN ANALGESIC, OR AS AN ANTIPYRETIC G.D. SEARLE & CO. (US) 1999-08-10 US disclosed