SCHEMBL6239385

SCHEMBL6239385

CS(=O)(=O)c1ccc(C2=CCCC2)c(-c2ccc(F)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.60
PTGS1 P23219 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
SCHEMBL6239381 0.95 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL8993599 0.76 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL8993514 0.76 PTGS2 (0.52) PTGS2
SCHEMBL3246525 0.75 PTGS2 (1.00) PTGS2
SCHEMBL8993504 0.74 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL8608632 0.74 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL4432809 0.73 LMNA (0.50) PTGS2
SCHEMBL23361312 0.72 PTGS2 (0.58) PTGS2
SCHEMBL29826462 0.72 PTGS2 (0.58) PTGS2
SCHEMBL8548523 0.72 PTGS2 (0.65) 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-1509217-A1 MONOTHERAPY FOR THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS WITH CYCLOOXYGENASE-2 (COX 2) INHIBITOR(S) Pharmacia Corporation (US) 2005-03-02 EP disclosed
WO-2003101441-A1 MONOTHERAPY FOR THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS WITH CYCLOOXYGENASE-2 (COX 2) INHIBITOR(S) PHARMACIA CORPORATION (US) 2003-12-11 WO disclosed