SCHEMBL7004874

SCHEMBL7004874

CCn1ccc(C2=C(c3ccc(S(C)(=O)=O)cc3)OC(C)(C)C2=O)n1

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.40
PTGS1 P23219 8/20 0.38

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
SCHEMBL7002825 0.90 CA1 (0.38) PTGS2PTGS1
SCHEMBL6997162 0.89 PTGS2 (0.40) PTGS2PTGS1
SCHEMBL7003061 0.87 PTGS2 (0.40) PTGS2PTGS1
SCHEMBL6992965 0.82 CYP3A4 (0.41) PTGS2PTGS1
SCHEMBL6996362 0.80 PTGS2 (0.42) PTGS2PTGS1
SCHEMBL7000770 0.80 CA1 (0.37) PTGS2PTGS1
SCHEMBL7003335 0.79 PTGS2 (0.36) PTGS2PTGS1
SCHEMBL7002834 0.78 PTGS2 (0.39) PTGS2PTGS1
SCHEMBL7001297 0.78 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL6999948 0.77 PTGS2 (0.43) PTGS2

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
EP-1109799-B1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORP (KR) 2003-12-17 EP claimed
US-6492416-B1 TREATING INFLAMMATION AND ASSOCIATED DISORDERS PACIFIC CORPORATION (KR) 2002-12-10 US claimed
EP-1109799-B1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORP (KR) 2003-12-17 EP disclosed
US-6492416-B1 TREATING INFLAMMATION AND ASSOCIATED DISORDERS PACIFIC CORPORATION (KR) 2002-12-10 US disclosed