SCHEMBL7160901

SCHEMBL7160901

CS(=O)(=O)Nc1cc(CCC(=O)O)ccc1Oc1ccc(Cl)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.60
PTGDR Q13258 14/20 0.55
PTGDR2 Q9Y5Y4 14/20 0.55
CCR2 P41597 1/20 0.55
PTGS1 P23219 1/20 0.53
PTGS2 P35354 1/20 0.53

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
SCHEMBL8481368 0.90 PTGS1 (0.52) FFAR1PTGDRPTGDR2CCR2PTGS1
SCHEMBL7161648 0.87 PTGS1 (0.52) FFAR1PTGDRPTGDR2CCR2PTGS1
SCHEMBL8523577 0.85 PTGS1 (0.58) FFAR1PTGDRPTGDR2CCR2PTGS1
SCHEMBL8092078 0.80 PTGS1 (0.48) FFAR1PTGDRPTGDR2CCR2PTGS1
SCHEMBL8104954 0.77 FFAR1 (0.70) FFAR1
SCHEMBL8099545 0.76 CCR2 (0.56) FFAR1PTGDRPTGDR2CCR2PTGS1
SCHEMBL8481656 0.76 PTGS1 (0.51) FFAR1PTGDRPTGDR2CCR2PTGS1
SCHEMBL8099718 0.76 PTGS1 (0.68) CCR2PTGS1PTGS2
SCHEMBL12667945 0.76 FFAR1 (1.00) FFAR1
SCHEMBL7162523 0.74 PTGS1 (0.59) PTGDRPTGDR2CCR2PTGS1PTGS2

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
US-RE38103-E1 5-methanesulfonamido-1-indanones as an inhibitor of cyclooxygenase-2 MERCK FROSST CANADA & CO. (CA) 2003-04-29 US disclosed
EP-0848703-B1 DERIVATIVES OF BENZOSULPHONAMIDES AS INHIBITORS OF THE ENZYME CYCLO-OXYGENASE II NYCOMED AUSTRIA GMBH (AT) 2000-09-27 EP disclosed
EP-0673366-B1 5-METHANESULFONAMIDO-1-INDANONES AS AN INHIBITOR OF CYCLOOXYGENASE-2 MERCK FROSST CANADA INC (CA) 1998-10-14 EP disclosed
US-5604260-A 5-methanesulfonamido-1-indanones as an inhibitor of cyclooxygenase-2 MERCK FROSST CANADA INC. (CA) 1997-02-18 US disclosed
EP-0673366-A1 5-METHANESULFONAMIDO-1-INDANONES AS AN INHIBITOR OF CYCLOOXYGENASE-2 MERCK FROSST CANADA INC. (CA) 1995-09-27 EP disclosed
WO-1994013635-A1 5-METHANESULFONAMIDO-1-INDANONES AS AN INHIBITOR OF CYCLOOXYGENASE-2 MERCK FROSST CANADA INC. (CA) 1994-06-23 WO disclosed