SCHEMBL8933879

SCHEMBL8933879

COc1ccc2c(c1F)CSCc1c(C(F)(F)F)nn(-c3ccc(S(N)(=O)=O)cc3)c1-2

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.82
PTGS1 P23219 11/20 0.61

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
SCHEMBL30424119 0.90 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL860766 0.90 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8934166 0.90 PTGS2 (0.84) PTGS2PTGS1
SCHEMBL8933920 0.85 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL8933966 0.85 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL8933924 0.83 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL8933845 0.83 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL8933995 0.82 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL8933916 0.82 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8934224 0.81 PTGS2 (0.84) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5565482-A ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS G.D. SEARLE & CO. (US) 1996-10-15 US disclosed
US-5547975-A ANTIARTHRIC AGENTS, ANALGESICS AND ANTIPYRETICS; INHIBITORS OF CYCLOOXYGENASE II; SIDE EFFECT REDUCTION G.D. SEARLE & CO. 1996-08-20 US disclosed
WO-1996009304-A1 BENZOPYRANOPYRAZOLYL DERIVATIVES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-03-28 WO disclosed