SCHEMBL3840063

SCHEMBL3840063

COc1ccc(C)cc1S(=O)(=O)N1CCCc2ccc(C(=O)Nc3nc(CC(=O)O)ns3)cc21.COc1ccc(C)cc1S(=O)(=O)N1CCCc2ccc(C(=O)O)cc21

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CPT1A P50416 16/20 0.75
▸ CPT1B Q92523 16/20 0.75
▸ CPT2 P23786 8/20 0.69
▸ ALDH1A1 P00352 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ GLA P06280 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ PTBP1 P26599 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ KMT2A Q03164 1/20 0.51

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
SCHEMBL2903690 0.99 CPT1A (0.77) CPT1ACPT1BCPT2ALDH1A1SMN1; SMN2
SCHEMBL3840065 0.90 CPT1A (0.67) CPT1ACPT1BCPT2ALDH1A1SMN1; SMN2
SCHEMBL2903680 0.88 CPT1A (0.64) CPT1ACPT1BCPT2ALDH1A1SMN1; SMN2
SCHEMBL3837062 0.87 CPT1A (0.97) CPT1ACPT1BCPT2
SCHEMBL2905345 0.85 CPT1A (1.00) CPT1ACPT1BCPT2
SCHEMBL2898641 0.82 CPT1A (1.00) CPT1ACPT1BCPT2ALDH1A1
SCHEMBL2901642 0.82 KMT2A (0.74) CPT1ACPT1BCPT2ALDH1A1SMN1; SMN2
SCHEMBL2906465 0.79 CPT1A (0.85) CPT1ACPT1BCPT2ALDH1A1SMN1; SMN2
SCHEMBL2906127 0.79 CPT1A (0.66) CPT1ACPT1BCPT2ALDH1A1SMN1; SMN2
SCHEMBL3837067 0.79 CPT1A (0.84) CPT1ACPT1BCPT2ALDH1A1SMN1; SMN2

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
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