SCHEMBL7001002

SCHEMBL7001002

CCC1(C)OC(c2ccc(S(C)(=O)=O)cc2)=CC1=O

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.51
SIGMAR1 Q99720 1/20 0.45
PTGS1 P23219 8/20 0.43

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
SCHEMBL7001286 0.84 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL7005878 0.81 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL7002393 0.79 SIGMAR1 (0.45) PTGS2SIGMAR1
SCHEMBL27548530 0.77 SIGMAR1 (0.45) SIGMAR1
SCHEMBL27484472 0.77 SIGMAR1 (0.45) SIGMAR1
SCHEMBL7000663 0.72 SIGMAR1 (0.47) PTGS2SIGMAR1PTGS1
SCHEMBL6997541 0.71 SIGMAR1 (0.46) PTGS2SIGMAR1PTGS1
SCHEMBL6996705 0.71 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL7140753 0.71 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL7494948 0.71 PTGS2 (0.65) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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