SCHEMBL752904

SCHEMBL752904

COc1ccc(Cl)cc1S(=O)(=O)N1CCOc2ccc(C(=O)Nc3nc(OC(=O)O)cs3)cc21

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 20/20 0.78
CPT1B Q92523 19/20 0.78
CPT2 P23786 5/20 0.68

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
SCHEMBL751288 0.90 CPT1A (0.80) CPT1ACPT1BCPT2
SCHEMBL754505 0.88 CPT1A (1.00) CPT1ACPT1BCPT2
SCHEMBL750365 0.85 CPT1A (0.79) CPT1ACPT1BCPT2
SCHEMBL750872 0.85 CPT1A (0.75) CPT1ACPT1BCPT2
SCHEMBL751746 0.85 CPT1A (0.81) CPT1ACPT1BCPT2
SCHEMBL753138 0.84 CPT1A (0.85) CPT1ACPT1BCPT2
SCHEMBL752283 0.82 CPT1A (0.81) CPT1ACPT1BCPT2
SCHEMBL751022 0.82 CPT1A (1.00) CPT1ACPT1BCPT2
SCHEMBL752615 0.82 CPT1A (0.78) CPT1ACPT1BCPT2
SCHEMBL751899 0.81 CPT1A (1.00) 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