SCHEMBL6995570

SCHEMBL6995570

CC1(C)OC(c2ccc(S(N)(=O)=O)c(Br)c2)=C(c2ccccc2)C1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.38
PTGS2 P35354 12/20 0.38
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA4 P22748 2/20 0.36
CA6 P23280 2/20 0.36
PTGS1 P23219 3/20 0.35
HK2 P52789 1/20 0.33
CA12 O43570 2/20 0.33
CA9 Q16790 2/20 0.33
MT-CO2 P00403 1/20 0.31
LMNA P02545 1/20 0.31
CA3 P07451 1/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
CYP3A4 P08684 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
CHRM1 P11229 1/20 0.31
ADRA2B P18089 1/20 0.31
SLC6A2 P23975 1/20 0.31

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
SCHEMBL6999749 0.90 PTGS2 (0.40) PTGS2PTGS1HK2MT-CO2ADORA3
SCHEMBL6997637 0.89 PTGS2 (0.39) PTGS2CA1CA2PTGS1CA12
SCHEMBL7003050 0.89 PTGS2 (0.39) MAOBPTGS2CA1CA2PTGS1
SCHEMBL6995305 0.89 MAOB (0.41) MAOBPTGS2CA1CA2PTGS1
SCHEMBL6998156 0.88 PGR (0.39) PTGS2CA1CA2PTGS1
SCHEMBL7001431 0.88 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL6998318 0.87 PTGS2 (0.41) MAOBPTGS2PTGS1
SCHEMBL6999240 0.87 MAOB (0.40) MAOBPTGS2CA1CA2CA4
SCHEMBL6995550 0.86 PTGS2 (0.38) PTGS2CA1CA2PTGS1CA12
SCHEMBL7001554 0.85 PTGES2 (0.39) PTGS2PTGS1LMNA

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