SCHEMBL8386265

SCHEMBL8386265

Cc1ccc(C2=C(c3ccc(S(N)(=O)=O)nc3)CC3(CCC3)C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.50
PTGS1 P23219 16/20 0.50
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA4 P22748 2/20 0.39
CA6 P23280 2/20 0.39
CA5A P35218 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA13 Q8N1Q1 2/20 0.39
CA14 Q9ULX7 2/20 0.39

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
SCHEMBL8383910 0.97 PTGS2 (0.50) PTGS2PTGS1CA12CA1CA2
SCHEMBL8384118 0.95 PTGS2 (0.56) PTGS2PTGS1CA12CA1CA2
SCHEMBL8387606 0.88 PTGS2 (0.51) PTGS2PTGS1CA12CA1CA2
SCHEMBL8383787 0.88 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL8385327 0.87 PTGS2 (0.67) PTGS2PTGS1CA12CA1CA2
SCHEMBL8383746 0.87 PTGS2 (0.59) PTGS2PTGS1CA12CA1CA2
SCHEMBL8387187 0.86 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL8386204 0.86 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL8384022 0.86 PTGS2 (0.48) PTGS2PTGS1CA12CA1CA2
SCHEMBL8387807 0.85 PTGS2 (0.59) PTGS2PTGS1CA12CA1CA2

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
EP-0743938-B1 SUBSTITUTED SPIRO COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 1999-04-21 EP claimed
EP-0743938-B1 SUBSTITUTED SPIRO COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 1999-04-21 EP disclosed
US-5393790-A Diphenyl- or phenyl/pyridyl-substituted spiroheptenes, -octenes,-nonenes or -decenes; cyclooxygenase II inhibitors; side effect reduction; antipyretics; antiarthritic agents G.D. SEARLE & CO. (US) 1995-02-28 US disclosed