SCHEMBL8933971

SCHEMBL8933971

Cc1ccc2c(c1)CSc1c(C(F)(F)F)nn(-c3ccc(S(N)(=O)=O)cc3)c1-2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 1.00
PTGS1 P23219 12/20 1.00

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
SCHEMBL8471848 0.91 PTGS2 (0.84) PTGS2PTGS1
SCHEMBL8933921 0.89 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8933877 0.89 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8933906 0.88 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL8933893 0.86 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8933926 0.84 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL8933812 0.83 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL6339161 0.82 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL8933876 0.81 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL5698663 0.81 PTGS2 (0.82) 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