SCHEMBL7000178

SCHEMBL7000178

CC(=O)c1cccc(C2=C(c3ccc(S(N)(=O)=O)cc3)OC(C)(C)C2=O)c1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 10/20 0.46
CA1 P00915 8/20 0.46
CA9 Q16790 7/20 0.46
CA12 O43570 4/20 0.46
PGR P06401 1/20 0.40
CA14 Q9ULX7 1/20 0.39
PTGS2 P35354 4/20 0.38
PTGS1 P23219 1/20 0.37
BRD4 O60885 1/20 0.37
BRD2 P25440 1/20 0.37
CREBBP Q92793 1/20 0.37
CHEK1 O14757 1/20 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
SCHEMBL6996865 0.90 PTGS2 (0.47) PGRPTGS2PTGS1
SCHEMBL6994970 0.87 CA2 (0.46) CA2CA1CA9CA12CA14
SCHEMBL6999849 0.85 CA2 (0.53) CA2CA1CA9CA12PTGS2
SCHEMBL6997787 0.85 PTGS2 (0.40) CA2CA1CA9CA12CA14
SCHEMBL6991749 0.85 PTGS2 (0.41) CA2CA1CA9CA12CA14
SCHEMBL7001251 0.84 CA2 (0.56) CA2CA1CA9CA12CA14
SCHEMBL6999323 0.84 CA2 (0.54) CA2CA1CA9CA12CA14
SCHEMBL6996692 0.83 RXRA (0.42) CA2CA1CA9CA12PTGS2
Polmacoxib SCHEMBL3233093 0.83 PTGS2 (0.55) CA2CA1CA9CA12PGR
Polmacoxib SCHEMBL29351757 0.83 PTGS2 (0.55) CA2CA1CA9CA12PGR

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 10 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-A1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2001-06-27 EP claimed
WO-2000061571-A1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2000-10-19 WO 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