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Sugi Predict / Compounds / SCHEMBL3844841

SCHEMBL3844841

SCHEMBL3844841

COc1ccc(Cl)cc1S(=O)(=O)N1CCc2c(C)cc(C(=O)Nc3nc(CC(=O)OC(=O)c4cc(C)c5c(c4)N(S(=O)(=O)c4cc(Cl)ccc4OC)CC5)cs3)cc21

nearest known ligand 0.84

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CPT1A P50416 20/20 0.84
▸ CPT1B Q92523 19/20 0.67
▸ CPT2 P23786 5/20 0.64

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
SCHEMBL2904136 0.92 CPT1A (0.85) CPT1ACPT1BCPT2
SCHEMBL2903312 0.92 CPT1A (1.00) CPT1ACPT1BCPT2
SCHEMBL3844839 0.90 CPT1A (0.96) CPT1ACPT1BCPT2
SCHEMBL3838204 0.88 CPT1A (0.84) CPT1ACPT1BCPT2
SCHEMBL3847037 0.84 CPT1A (0.83) CPT1ACPT1BCPT2
SCHEMBL3945257 0.84 CPT1A (0.85) CPT1ACPT1BCPT2
SCHEMBL2898313 0.82 CPT1A (0.84) CPT1ACPT1BCPT2
SCHEMBL753538 0.81 CPT1A (0.86) CPT1ACPT1BCPT2
SCHEMBL2903667 0.80 CPT1A (1.00) CPT1ACPT1BCPT2
SCHEMBL751759 0.80 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