SCHEMBL2901642

SCHEMBL2901642

COc1ccc(C)cc1S(=O)(=O)N1CCCc2ccc(C(=O)O)cc21

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.74
CPT1A P50416 10/20 0.71
CPT1B Q92523 10/20 0.71
CPT2 P23786 7/20 0.71
ALDH1A1 P00352 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
MAPK1 P28482 1/20 0.56
TSHR P16473 1/20 0.56
MCOLN3 Q8TDD5 1/20 0.56
POLB P06746 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MEN1 O00255 1/20 0.55

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
SCHEMBL2898003 0.92 CPT1A (0.68) KMT2ACPT1ACPT1BCPT2ALDH1A1
SCHEMBL2901204 0.87 CPT1A (0.82) KMT2ACPT1ACPT1BCPT2
SCHEMBL3841719 0.85 CPT1A (0.74) KMT2ACPT1ACPT1BCPT2ALDH1A1
SCHEMBL3835852 0.85 CPT1A (0.74) KMT2ACPT1ACPT1BCPT2ALDH1A1
SCHEMBL30015634 0.84 CPT1A (0.83) CPT1ACPT1BCPT2
SCHEMBL3572592 0.84 CPT1A (0.83) CPT1ACPT1BCPT2
SCHEMBL3567264 0.84 CPT1A (1.00) CPT1ACPT1BCPT2
SCHEMBL30015660 0.84 CPT1A (1.00) CPT1ACPT1BCPT2
SCHEMBL2898641 0.83 CPT1A (1.00) CPT1ACPT1BCPT2ALDH1A1
SCHEMBL2897793 0.83 CPT1A (0.82) KMT2ACPT1ACPT1BCPT2

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 5 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
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 KMT2A 2129/4885CPT1A 1/4885CPT1B 5/4885

“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.