SCHEMBL3836992

SCHEMBL3836992

COc1ccc(Cl)cc1S(=O)(=O)N1CCc2ccc(C(=O)Nc3ccn(CC(=O)O)n3)cc21.COc1ccc(Cl)cc1S(=O)(=O)N1CCc2ccc(C(=O)O)cc21

nearest known ligand 0.96

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 20/20 0.96
CPT1B Q92523 20/20 0.96
CPT2 P23786 10/20 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
SCHEMBL2904168 0.98 CPT1A (1.00) CPT1ACPT1BCPT2
SCHEMBL2900881 0.89 CPT1A (0.84) CPT1ACPT1BCPT2
SCHEMBL3836995 0.89 CPT1A (0.84) CPT1ACPT1BCPT2
SCHEMBL752613 0.85 CPT1A (1.00) CPT1ACPT1BCPT2
SCHEMBL752083 0.84 CPT1A (1.00) CPT1ACPT1BCPT2
SCHEMBL2897793 0.83 CPT1A (0.82) CPT1ACPT1BCPT2
SCHEMBL3580255 0.83 CPT1A (1.00) CPT1ACPT1BCPT2
SCHEMBL30014606 0.83 CPT1A (1.00) CPT1ACPT1BCPT2
SCHEMBL30015685 0.82 CPT1A (0.91) CPT1ACPT1BCPT2
SCHEMBL3569307 0.80 CPT1A (0.88) 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