SCHEMBL7003751

SCHEMBL7003751

Cc1cc(C2=C(c3ccc(S(C)(=O)=O)cc3)OC(C)(C)C2=O)sc1C=O

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.40
PTGS1 P23219 7/20 0.37

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
SCHEMBL7003187 0.82 PRF1 (0.42) PTGS2PTGS1
SCHEMBL7000130 0.78 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL7001297 0.78 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL6997993 0.77 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL7000265 0.77 PTGS2 (0.41) PTGS2PTGS1
SCHEMBL7002695 0.77 PTGS2 (0.42) PTGS2PTGS1
SCHEMBL6996066 0.76 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL7000867 0.75 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL6998272 0.75 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL6997383 0.75 PTGS2 (0.48) 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
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