SCHEMBL8933890

SCHEMBL8933890

CC(C)c1cccc2c1SCc1c(C(F)(F)F)nn(-c3ccc(S(N)(=O)=O)cc3)c1-2

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.68
PTGS1 P23219 14/20 0.68

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
SCHEMBL8933820 0.81 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8933972 0.80 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL8934166 0.79 PTGS2 (0.84) PTGS2PTGS1
SCHEMBL8933845 0.78 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL8933893 0.76 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8933876 0.76 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL8933897 0.75 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL8933995 0.74 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL8934017 0.74 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL8933987 0.74 PTGS2 (0.74) 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