SCHEMBL3559043

SCHEMBL3559043

CCOC(=O)c1ccc(NC(=O)c2cc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)c(OC)c(OC)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.56
SLC20A2 Q08357 1/20 0.53
SLC20A1 Q8WUM9 1/20 0.53
POLB P06746 1/20 0.52
RECQL P46063 1/20 0.52
HIF1A Q16665 1/20 0.51
CPT2 P23786 1/20 0.50
CPT1A P50416 1/20 0.50
MAPT P10636 4/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 2/20 0.47
PTPN1 P18031 1/20 0.47
AVPR2 P30518 1/20 0.47
GPR27 Q9NS67 1/20 0.47
TP53 P04637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL2827831 0.90 CPT2 (0.62) SLC20A2SLC20A1POLBRECQLCPT2
SCHEMBL2825039 0.89 CPT2 (0.58) CPT2CPT1AMAPTALDH1A1MAPK1
SCHEMBL2828139 0.88 CPT2 (0.60) NPSR1HIF1ACPT2CPT1AMAPT
SCHEMBL2828816 0.85 NPSR1 (0.59) NPSR1SLC20A2SLC20A1POLBRECQL
SCHEMBL2827973 0.83 CPT2 (0.56) NPSR1CPT2CPT1AMAPTALDH1A1
SCHEMBL2825172 0.83 CPT2 (0.61) CPT2CPT1AMAPTALDH1A1MAPK1
SCHEMBL2828302 0.83 SMN1; SMN2 (0.61) NPSR1POLBRECQLHIF1ACPT2
SCHEMBL7578595 0.80 NPSR1 (0.72) NPSR1SLC20A2SLC20A1POLBRECQL
SCHEMBL2827310 0.79 CPT1A (0.79) NPSR1CPT2CPT1AMAPTALDH1A1
SCHEMBL2827058 0.79 MEN1 (0.55) NPSR1SLC20A2SLC20A1POLBRECQL

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120232104-A1 NOVEL SULFONAMIDES AS L-CPT1 INHIBITORS BLEICHER KONRAD (DE) 2012-09-13 US disclosed
US-20110319438-A1 NOVEL SULFONAMIDES AS L-CPT1 INHIBITORS BLEICHER KONRAD (DE) 2011-12-29 US disclosed
US-20100144762-A1 NOVEL SULFONAMIDES AS L-CPT1 INHIBITORS BLEICHER KONRAD 2010-06-10 US disclosed
US-7723538-B2 enzyme inhibitors of membrane-bound carnitine-dependent palmitoyltransferases (CPTs); inhibit gluconeogenesis and therefore counteract hyperglycemia; 4-(3-Benzenesulfonylamino-benzoylamino)-benzoic acid HOFFMANN-LA ROCHE INC. (US) 2010-05-25 US disclosed
EP-1891001-A1 SULFONAMIDE DERIVATIVES USEFUL AS LIVER CARNITINE PALMITOYL TRANSFERASE (L-CPTl) INHIBITORS F. Hoffmann-Roche AG (CH) 2008-02-27 EP disclosed
WO-2006131452-A1 SULFONAMIDE DERIVATIVES USEFUL AS LIVER CARNITINE PALMITOYL TRANSFERASE (L-CPTl) INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-12-14 WO disclosed
US-20060276494-A1 Novel sulfonamides as L-CPT1 inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2006-12-07 US 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 (4 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-20060276494-A1 Novel sulfonamides as L-CPT1 inhibitors CPT1A, CPT1B, CPT2 NPSR1 1652/4885SLC20A2 283/4885SLC20A1 158/4885
US-20120232104-A1 NOVEL SULFONAMIDES AS L-CPT1 INHIBITORS CPT1A, CPT1B, CPT2 NPSR1 1652/4885SLC20A2 283/4885SLC20A1 158/4885
US-20100144762-A1 NOVEL SULFONAMIDES AS L-CPT1 INHIBITORS CPT1A, CPT1B, CPT2 NPSR1 1652/4885SLC20A2 283/4885SLC20A1 158/4885
US-20110319438-A1 NOVEL SULFONAMIDES AS L-CPT1 INHIBITORS CPT1A, CPT1B, CPT2 NPSR1 1652/4885SLC20A2 283/4885SLC20A1 158/4885

“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.