SCHEMBL6993196

SCHEMBL6993196

COc1c(C)cc(C2=C(c3ccc(S(C)(=O)=O)cc3)OC(C)(C)C2=O)cc1C

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.48
PTGS1 P23219 8/20 0.42

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
SCHEMBL6996630 0.89 CA12 (0.45) PTGS2PTGS1
SCHEMBL6997361 0.86 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL6996066 0.85 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL7001297 0.84 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL6996876 0.84 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL6995203 0.83 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL6995048 0.81 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL6995425 0.81 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL6999220 0.81 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL6992929 0.80 PTGS2 (0.52) 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 8 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
CN-1348447-A 4,5 diaryl-3 (2H) -furanone derivatives as cyclooxygenase-2 inhibitors PACIFIC CORP (KR) 2002-05-08 CN 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