SCHEMBL6973308

SCHEMBL6973308

NS(=O)(=O)c1ccc(-c2oc3ccccc3c(=S)c2-c2ccccc2F)cc1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.63
PTGS1 P23219 7/20 0.63
NMUR2 Q9GZQ4 1/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CA12 O43570 1/20 0.41
MAPK14 Q16539 1/20 0.39

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
SCHEMBL6979325 0.88 PTGS2 (0.63) PTGS2PTGS1NMUR2
SCHEMBL6978136 0.87 PTGS2 (0.68) PTGS2PTGS1NMUR2CA1CA2
SCHEMBL6974186 0.86 PTGS2 (0.81) PTGS2PTGS1MAPK14
SCHEMBL6976289 0.84 PTGS2 (0.67) PTGS2PTGS1CA1CA2CA9
SCHEMBL6982606 0.81 PTGS2 (0.62) PTGS2PTGS1CA1CA2CA9
SCHEMBL6976304 0.80 PTGS2 (0.64) PTGS2PTGS1NMUR2CA1CA2
SCHEMBL6972864 0.78 PTGS2 (0.59) PTGS2PTGS1NMUR2MAPK14
SCHEMBL6976415 0.77 PTGS2 (0.67) PTGS2PTGS1NMUR2MAPK14
SCHEMBL6980759 0.77 PTGS2 (0.55) PTGS2PTGS1CA1CA2CA9
SCHEMBL6981004 0.76 PTGS2 (0.85) PTGS2PTGS1MAPK14

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-1105384-B1 DIARYLBENZOPYRAN DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORP (KR) 2003-03-26 EP claimed
US-6340694-B1 Diarylbenzopyran derivatives as cyclooxygenase-2 inhibitors PACIFIC CORPORATION (KR) 2002-01-22 US claimed
EP-1105384-A1 DIARYLBENZOPYRAN DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2001-06-13 EP claimed
WO-2000010993-A1 DIARYLBENZOPYRAN DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2000-03-02 WO claimed
EP-1105384-B1 DIARYLBENZOPYRAN DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORP (KR) 2003-03-26 EP disclosed
US-6340694-B1 Diarylbenzopyran derivatives as cyclooxygenase-2 inhibitors PACIFIC CORPORATION (KR) 2002-01-22 US disclosed
EP-1105384-A1 DIARYLBENZOPYRAN DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2001-06-13 EP disclosed
WO-2000010993-A1 DIARYLBENZOPYRAN DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2000-03-02 WO disclosed