SCHEMBL6972243

SCHEMBL6972243

CS(=O)(=O)c1ccc(-c2oc3ccccc3c(=O)c2-c2ccccc2F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.68
NTRK1 P04629 1/20 0.52
PLK3 Q9H4B4 1/20 0.52
NMUR2 Q9GZQ4 1/20 0.52
PTGS1 P23219 2/20 0.52
MAPK14 Q16539 2/20 0.50

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
SCHEMBL6978342 0.92 PTGS2 (0.64) PTGS2NTRK1PLK3NMUR2PTGS1
SCHEMBL6974299 0.90 PTGS2 (0.67) PTGS2NTRK1PLK3PTGS1MAPK14
SCHEMBL6978136 0.88 PTGS2 (0.68) PTGS2NTRK1PLK3NMUR2PTGS1
SCHEMBL6979325 0.87 PTGS2 (0.63) PTGS2NMUR2PTGS1
SCHEMBL6976487 0.87 PTGS2 (0.62) PTGS2NTRK1PLK3PTGS1MAPK14
SCHEMBL6977093 0.86 PTGS2 (0.85) PTGS2PTGS1MAPK14
SCHEMBL6980060 0.86 PTGS2 (0.61) PTGS2NTRK1PLK3NMUR2PTGS1
SCHEMBL6976350 0.86 PTGS2 (0.61) PTGS2NTRK1PLK3NMUR2PTGS1
SCHEMBL6976311 0.86 PTGS2 (0.61) PTGS2NTRK1PLK3PTGS1MAPK14
SCHEMBL6974037 0.85 PTGS2 (0.61) PTGS2NTRK1PLK3PTGS1MAPK14

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 6 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-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