SCHEMBL751746

SCHEMBL751746

COc1ccc(Cl)cc1S(=O)(=O)N1CCOc2ccc(C(=O)Nc3ccc(OC(=O)O)nc3)cc21

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 20/20 0.81
CPT1B Q92523 16/20 0.81
CPT2 P23786 10/20 0.81

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
SCHEMBL750844 0.90 CPT1A (1.00) CPT1ACPT1BCPT2
SCHEMBL751899 0.87 CPT1A (1.00) CPT1ACPT1BCPT2
SCHEMBL751022 0.86 CPT1A (1.00) CPT1ACPT1BCPT2
SCHEMBL750398 0.85 CPT1A (0.76) CPT1ACPT1BCPT2
SCHEMBL752804 0.85 CPT1A (0.83) CPT1ACPT1BCPT2
SCHEMBL750365 0.85 CPT1A (0.79) CPT1ACPT1BCPT2
SCHEMBL752904 0.85 CPT1A (0.78) CPT1ACPT1BCPT2
SCHEMBL753406 0.84 CPT1A (0.90) CPT1ACPT1BCPT2
SCHEMBL752181 0.84 CPT1A (1.00) CPT1ACPT1BCPT2
SCHEMBL752214 0.83 CPT1A (0.78) CPT1ACPT1BCPT2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1996563-B1 HETEROBICYCLIC SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DIABETES HOFFMANN LA ROCHE (CH) 2012-03-21 EP claimed