SCHEMBL2906465

SCHEMBL2906465

CCOC(=O)Cc1csc(NC(=O)c2ccc3c(c2)N(S(=O)(=O)c2cc(C)ccc2OC)CCC3)n1

nearest known ligand 0.85

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 14/20 0.85
CPT1B Q92523 13/20 0.85
CPT2 P23786 3/20 0.62
ALDH1A1 P00352 5/20 0.59
LMNA P02545 2/20 0.55
TSHR P16473 1/20 0.55
MAPK1 P28482 1/20 0.55
CYP1A2 P05177 1/20 0.54
POLB P06746 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 1/20 0.52
GLA P06280 1/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52
PTBP1 P26599 1/20 0.52
HTT P42858 1/20 0.52

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
SCHEMBL3837067 0.92 CPT1A (0.84) CPT1ACPT1BCPT2ALDH1A1LMNA
SCHEMBL2905345 0.92 CPT1A (1.00) CPT1ACPT1BCPT2
SCHEMBL2904429 0.91 CPT1A (0.85) CPT1ACPT1BCPT2ALDH1A1
SCHEMBL3837062 0.91 CPT1A (0.97) CPT1ACPT1BCPT2
SCHEMBL2898313 0.89 CPT1A (0.84) CPT1ACPT1BCPT2ALDH1A1
SCHEMBL2903506 0.84 CPT1A (0.84) CPT1ACPT1BCPT2ALDH1A1SMN1; SMN2
SCHEMBL3945257 0.83 CPT1A (0.85) CPT1ACPT1BCPT2
SCHEMBL2903517 0.82 CPT1A (1.00) CPT1ACPT1BCPT2
SCHEMBL2898474 0.82 CPT1A (0.82) CPT1ACPT1BALDH1A1LMNATSHR
SCHEMBL3945251 0.82 CPT1A (0.96) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7799933-B2 Sulfonamide derivatives HOFFMAN-LA ROCHE INC. (US) 2010-09-21 US disclosed
EP-2097373-B1 SULFONAMIDE DERIVATIVES AS LIVER CARNITINE PALMITOYL TRANSFERASE (L-CPTL ) HOFFMANN LA ROCHE (CH) 2010-08-11 EP disclosed
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