SCHEMBL8933966

SCHEMBL8933966

COc1ccc2c(c1F)OCc1c(C(F)(F)F)nn(-c3ccc(S(N)(=O)=O)cc3)c1-2

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.66
PTGS1 P23219 11/20 0.62

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
SCHEMBL8933905 0.90 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL8933767 0.88 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL8934174 0.85 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL8933879 0.85 PTGS2 (0.82) PTGS2PTGS1
SCHEMBL8934166 0.84 PTGS2 (0.84) PTGS2PTGS1
SCHEMBL8933968 0.83 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL8933920 0.82 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL8933945 0.82 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL8934029 0.81 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL8933924 0.80 PTGS2 (0.64) 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
WO-1996009304-A1 BENZOPYRANOPYRAZOLYL DERIVATIVES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-03-28 WO claimed
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