SCHEMBL6470141

SCHEMBL6470141

CS(=O)(=O)c1ccc(-c2ccc(-c3ccc(F)cc3)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.74
PTGS1 P23219 6/20 0.69

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
SCHEMBL7395459 1.00 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL444872 0.93 PTGS2 (0.69) PTGS2PTGS1
Water SCHEMBL27918427 0.90 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL7677302 0.87 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL10300269 0.87 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL7938593 0.86 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL6724517 0.86 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL215130 0.86 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6724238 0.84 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8974060 0.82 PTGS2 (0.64) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1406696-A1 USE OF COMPOSITIONS COMPRISING CYCLOOXYGENASE-2 SELECTIVE INHIBITORS IN COMBINATION WITH RADIATION FOR INHIBITION OR PREVENTION OF CARDIOVASCULAR DISEASE Pharmacia Corporation (US) 2004-04-14 EP claimed
WO-2002096516-A1 USE OF COMPOSITIONS COMPRISING CYCLOOXYGENASE-2 SELECTIVE INHIBITORS IN COMBINATION WITH RADIATION FOR INHIBITION OR PREVENTION OF CARDIOVASCULAR DISEASE PHARMACIA CORPORATION (US) 2002-12-05 WO claimed
EP-1536863-A1 USE OF CYCLOOXYGENASE-2 SELECTIVE INHIBITORS AND THROMBOLYTIC AGENTS FOR THE TREATMENT OR PREVENTION OF A VASO-OCCLUSIVE EVENT Pharmacia Corporation (US) 2005-06-08 EP disclosed
WO-2004004833-A1 USE OF CYCLOOXYGENASE-2 SELECTIVE INHIBITORS AND THROMBOLYTIC AGENTS FOR THE TREATMENT OR PREVENTION OF A VASO-OCCLUSIVE EVENT PHARMACIA CORPORATION (US) 2004-01-15 WO disclosed