SCHEMBL2903690

SCHEMBL2903690

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

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CPT1A P50416 17/20 0.77
▸ CPT1B Q92523 17/20 0.77
▸ CPT2 P23786 7/20 0.71
▸ ALDH1A1 P00352 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ GLA P06280 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ PTBP1 P26599 1/20 0.54
▸ HTT P42858 1/20 0.54

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
SCHEMBL3840063 0.99 CPT1A (0.75) CPT1ACPT1BCPT2ALDH1A1SMN1; SMN2
SCHEMBL3840065 0.92 CPT1A (0.67) CPT1ACPT1BCPT2ALDH1A1SMN1; SMN2
SCHEMBL2903680 0.89 CPT1A (0.64) CPT1ACPT1BCPT2ALDH1A1SMN1; SMN2
SCHEMBL2905345 0.87 CPT1A (1.00) CPT1ACPT1BCPT2
SCHEMBL3837062 0.85 CPT1A (0.97) CPT1ACPT1BCPT2
SCHEMBL2898641 0.83 CPT1A (1.00) CPT1ACPT1BCPT2ALDH1A1
SCHEMBL2906127 0.81 CPT1A (0.66) CPT1ACPT1BCPT2ALDH1A1SMN1; SMN2
SCHEMBL2906465 0.81 CPT1A (0.85) CPT1ACPT1BCPT2ALDH1A1SMN1; SMN2
SCHEMBL3837067 0.80 CPT1A (0.84) CPT1ACPT1BCPT2ALDH1A1SMN1; SMN2
SCHEMBL2901642 0.80 KMT2A (0.74) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2097373-B1 SULFONAMIDE DERIVATIVES AS LIVER CARNITINE PALMITOYL TRANSFERASE (L-CPTL ) HOFFMANN LA ROCHE (CH) 2010-08-11 — — EP claimed
EP-2097373-A1 SULFONAMIDE DERIVATIVES AS LIVER CARNITINE PALMITOYL TRANSFERASE (L-CPTL ) F. Hoffmann-Roche AG (CH) 2009-09-09 — — EP claimed
US-20080153805-A1 SULFONAMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-06-26 — — US claimed
WO-2008074692-A1 SULFONAMIDE DERIVATIVES AS LIVER CARNITINE PALMITOYL TRANSFERASE (L-CPTL ) F. HOFFMANN-LA ROCHE AG (CH) 2008-06-26 — — WO claimed
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
US-20080153805-A1 SULFONAMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-06-26 — — US disclosed
WO-2008074692-A1 SULFONAMIDE DERIVATIVES AS LIVER CARNITINE PALMITOYL TRANSFERASE (L-CPTL ) F. HOFFMANN-LA ROCHE AG (CH) 2008-06-26 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080153805-A1 SULFONAMIDE DERIVATIVES CPT1A, SULT2A1, SULT1A1 CPT1A 1/4885CPT1B 5/4885CPT2 7/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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