SCHEMBL3847033

SCHEMBL3847033

COc1ccc(Cl)cc1S(=O)(=O)N1CCc2c(C)cc(C(=O)Nc3ccc(CC(=O)O)cc3)cc21.COc1ccc(Cl)cc1S(=O)(=O)N1CCc2c(C)cc(C(=O)O)cc21

nearest known ligand 0.95

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 20/20 0.95
CPT1B Q92523 19/20 0.95
CPT2 P23786 7/20 0.95

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
SCHEMBL2900981 0.98 CPT1A (1.00) CPT1ACPT1BCPT2
SCHEMBL30015594 0.91 CPT1A (1.00) CPT1ACPT1BCPT2
SCHEMBL3566827 0.91 CPT1A (1.00) CPT1ACPT1BCPT2
SCHEMBL2905161 0.89 CPT1A (0.84) CPT1ACPT1BCPT2
SCHEMBL3847037 0.89 CPT1A (0.83) CPT1ACPT1BCPT2
SCHEMBL2904272 0.86 CPT1A (0.80) CPT1ACPT1BCPT2
SCHEMBL3570694 0.85 CPT1A (0.89) CPT1ACPT1BCPT2
SCHEMBL30016047 0.85 CPT1A (0.89) CPT1ACPT1BCPT2
SCHEMBL30015593 0.85 CPT1A (1.00) CPT1ACPT1BCPT2
SCHEMBL3578510 0.85 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2097373-A1 SULFONAMIDE DERIVATIVES AS LIVER CARNITINE PALMITOYL TRANSFERASE (L-CPTL ) F. Hoffmann-Roche AG (CH) 2009-09-09 EP disclosed
WO-2008074692-A1 SULFONAMIDE DERIVATIVES AS LIVER CARNITINE PALMITOYL TRANSFERASE (L-CPTL ) F. HOFFMANN-LA ROCHE AG (CH) 2008-06-26 WO disclosed