SCHEMBL6995154

SCHEMBL6995154

CC1(C)OC(c2ccc(S(N)(=O)=O)cc2)=C(c2cc3ccccc3s2)C1=O

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.60
CA1 P00915 6/20 0.60
CA9 Q16790 6/20 0.60
PTGS2 P35354 9/20 0.53
PTGS1 P23219 4/20 0.47
ALOX5 P09917 1/20 0.41
CA12 O43570 3/20 0.40
CA7 P43166 1/20 0.40
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
APP P05067 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL7000130 0.90 PTGS2 (0.66) CA2CA1CA9PTGS2PTGS1
SCHEMBL6995958 0.81 CA2 (0.56) CA2CA1CA9PTGS2PTGS1
SCHEMBL27468437 0.80 PTGS2 (0.43) CA2CA1CA9PTGS2PTGS1
SCHEMBL7002002 0.79 PTGS2 (0.56) CA2CA1CA9PTGS2PTGS1
SCHEMBL6993233 0.78 PTGS2 (0.49) CA2CA1CA9PTGS2PTGS1
SCHEMBL6991643 0.78 PTGS2 (0.61) CA2CA1CA9PTGS2PTGS1
SCHEMBL6995948 0.77 PTGS2 (0.39) CA2CA1CA9PTGS2PTGS1
SCHEMBL6992544 0.77 CA2 (0.62) CA2CA1CA9PTGS2CA12
SCHEMBL6996908 0.76 CA1 (0.56) CA2CA1CA9PTGS2PTGS1
SCHEMBL6999323 0.76 CA2 (0.54) CA2CA1CA9PTGS2PTGS1

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