SCHEMBL6977248

SCHEMBL6977248

CS(=O)(=O)c1ccc(-c2oc3ccccc3c(=S)c2-c2ccc(F)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.81
PTGS1 P23219 3/20 0.62
MAPK14 Q16539 2/20 0.51

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
SCHEMBL6982238 0.91 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL6970812 0.89 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL6978645 0.89 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL6974186 0.88 PTGS2 (0.81) PTGS2PTGS1MAPK14
SCHEMBL6981954 0.88 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL6981713 0.88 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL6977093 0.88 PTGS2 (0.85) PTGS2PTGS1MAPK14
SCHEMBL6978534 0.87 PTGS2 (0.62) PTGS2PTGS1MAPK14
SCHEMBL6977443 0.87 PTGS2 (0.62) PTGS2PTGS1MAPK14
SCHEMBL6979325 0.86 PTGS2 (0.63) 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 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