SCHEMBL3835855

SCHEMBL3835855

COc1ccc(C)cc1S(=O)(=O)N1CCCc2ccc(C(=O)Nc3ccc(C(C)C(=O)OC(=O)c4ccc5c(c4)N(S(=O)(=O)c4cc(C)ccc4OC)CCC5)cc3)cc21

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 18/20 0.70
CPT1B Q92523 17/20 0.70
CPT2 P23786 13/20 0.70
ALDH1A1 P00352 1/20 0.51
KMT2A Q03164 1/20 0.47

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
SCHEMBL3100704 0.94 CPT1A (0.74) CPT1ACPT1BCPT2ALDH1A1KMT2A
SCHEMBL2900551 0.91 CPT1A (0.76) CPT1ACPT1BCPT2ALDH1A1KMT2A
SCHEMBL3835852 0.89 CPT1A (0.74) CPT1ACPT1BCPT2ALDH1A1KMT2A
SCHEMBL2907983 0.88 CPT1A (0.74) CPT1ACPT1BCPT2ALDH1A1KMT2A
SCHEMBL3841723 0.87 CPT1A (0.73) CPT1ACPT1BCPT2ALDH1A1KMT2A
SCHEMBL2904140 0.86 CPT1A (0.76) CPT1ACPT1BCPT2ALDH1A1KMT2A
SCHEMBL3841719 0.85 CPT1A (0.74) CPT1ACPT1BCPT2ALDH1A1KMT2A
SCHEMBL2898641 0.82 CPT1A (1.00) CPT1ACPT1BCPT2ALDH1A1
SCHEMBL2898003 0.82 CPT1A (0.68) CPT1ACPT1BCPT2ALDH1A1KMT2A
SCHEMBL2903506 0.82 CPT1A (0.84) CPT1ACPT1BCPT2ALDH1A1

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