SCHEMBL6996080

SCHEMBL6996080

CC1(C)OC(c2ccc(S(N)(=O)=O)cc2)=C(c2cccc(C(F)(F)F)c2)C1=O

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.44
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
PTGS2 P35354 7/20 0.40
PTGS1 P23219 5/20 0.40
CA2 P00918 4/20 0.40
CA9 Q16790 3/20 0.40
CA12 O43570 2/20 0.40
ELANE P08246 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
PTGES2 Q9H7Z7 1/20 0.39
CA1 P00915 3/20 0.38
CA4 P22748 1/20 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
SCHEMBL6996469 0.90 PTGS2 (0.50) PTGS2PTGS1ELANE
SCHEMBL7001540 0.87 KIF11 (0.40) KIF11KDM4EGAAPTGS2PTGS1
SCHEMBL7000249 0.86 KDM4E (0.39) KIF11KDM4EGAAPTGS2PTGS1
SCHEMBL7001802 0.86 KIF11 (0.43) KIF11PTGS2PTGS1CA2CA9
SCHEMBL6994669 0.85 PTGES2 (0.39) PTGS2PTGS1PTGES2
SCHEMBL7001554 0.85 PTGES2 (0.39) KDM4EGAAPTGS2PTGS1PTGES2
Polmacoxib SCHEMBL29351757 0.85 PTGS2 (0.55) PTGS2PTGS1CA2CA9CA12
Polmacoxib SCHEMBL3233093 0.85 PTGS2 (0.55) PTGS2PTGS1CA2CA9CA12
SCHEMBL6999849 0.85 CA2 (0.53) PTGS2PTGS1CA2CA9CA12
SCHEMBL7002812 0.85 KIF11 (0.42) KIF11PTGS2PTGS1

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 7 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
CN-1166658-C 4,5 diaryl-3 (2H) -furanone derivatives as cyclooxygenase-2 inhibitors ��ʽ����̫ƽ�� 2004-09-15 CN disclosed
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
EP-1109799-A1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2001-06-27 EP disclosed
WO-2000061571-A1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2000-10-19 WO disclosed