SCHEMBL6997713

SCHEMBL6997713

CC(C)n1cc(C2=C(c3ccc(S(C)(=O)=O)cc3)OC(C)(C)C2=O)cn1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.40
PTGS1 P23219 7/20 0.37
MELK Q14680 1/20 0.36

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
SCHEMBL6997220 0.90 PTGS2 (0.39) PTGS2
SCHEMBL6997858 0.87 PTGS2 (0.43) PTGS2PTGS1MELK
SCHEMBL7003059 0.85 FLT3 (0.41) PTGS2PTGS1MELK
SCHEMBL6992965 0.82 CYP3A4 (0.41) PTGS2PTGS1MELK
SCHEMBL7001297 0.80 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL7002833 0.78 PTGS2 (0.41) PTGS2PTGS1
SCHEMBL6999187 0.78 PTGS2 (0.36) PTGS2
SCHEMBL7004772 0.77 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL6994499 0.77 PTGS2 (0.42) PTGS2PTGS1
SCHEMBL6995648 0.77 PTGS2 (0.43) 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