SCHEMBL6281419

SCHEMBL6281419

CS(=O)(=O)S(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2cccnc2)cc1

nearest known ligand 0.85

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.85
PTGS1 P23219 3/20 0.62

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
SCHEMBL213457 0.92 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL3252361 0.86 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL30355967 0.86 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5071006 0.82 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL5594288 0.82 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL7933892 0.81 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL5694332 0.81 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL5593877 0.80 PTGS2 (0.79) PTGS2PTGS1
SCHEMBL215075 0.80 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5630264 0.80 PTGS2 (0.86) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1526869-A1 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND A CARBONIC ANHYDRASE INHIBITOR FOR THE TREATMENT OF NEOPLASIA Pharmacia Corporation (US) 2005-05-04 EP disclosed
WO-2004014430-A1 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND A CARBONIC ANHYDRASE INHIBITOR FOR THE TREATMENT OF NEOPLASIA PHARMACIA CORPORATION (US) 2004-02-19 WO disclosed