SCHEMBL750398

SCHEMBL750398

COc1ccc(Cl)cc1S(=O)(=O)N1CCNc2ccc(C(=O)Nc3ccc(OC(=O)O)nc3)cc21

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 20/20 0.76
CPT1B Q92523 15/20 0.76
CPT2 P23786 13/20 0.70

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
SCHEMBL750849 0.90 CPT1A (0.81) CPT1ACPT1BCPT2
SCHEMBL751260 0.87 CPT1A (1.00) CPT1ACPT1BCPT2
SCHEMBL751746 0.85 CPT1A (0.81) CPT1ACPT1BCPT2
SCHEMBL764949 0.85 CPT1A (0.71) CPT1ACPT1BCPT2
SCHEMBL753364 0.82 CPT1A (1.00) CPT1ACPT1BCPT2
SCHEMBL753581 0.82 CPT1A (0.81) CPT1ACPT1BCPT2
SCHEMBL753382 0.78 CPT1A (0.83) CPT1ACPT1BCPT2
SCHEMBL750844 0.75 CPT1A (1.00) CPT1ACPT1BCPT2
SCHEMBL30015685 0.73 CPT1A (0.91) CPT1ACPT1BCPT2
SCHEMBL3580255 0.73 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