SCHEMBL2828102

SCHEMBL2828102

CCOC(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1OC

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 1/20 0.71
KMT2A Q03164 12/20 0.62
MEN1 O00255 11/20 0.62
HTT P42858 3/20 0.62
MAPT P10636 5/20 0.61
RAB9A P51151 3/20 0.61
NPC1 O15118 2/20 0.61
ALDH1A1 P00352 2/20 0.61
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
ALOX5 P09917 1/20 0.56
THRA P10827 1/20 0.55
POLB P06746 1/20 0.54
BLM P54132 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
HPGD P15428 1/20 0.53

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
SCHEMBL2825277 0.84 MEN1 (0.74) SETD7KMT2AMEN1HTTMAPT
SCHEMBL2831130 0.83 MAPT (0.50) SETD7KMT2AMEN1HTTMAPT
SCHEMBL18271657 0.81 SETD7 (0.78) SETD7KMT2AMEN1HTTMAPT
SCHEMBL7117010 0.81 MEN1 (0.61) KMT2AMEN1HTTMAPTRAB9A
SCHEMBL6436608 0.80 PYGL (0.64) KMT2AMEN1HTTMAPTRAB9A
SCHEMBL5925521 0.80 MAPT (0.62) KMT2AMEN1HTTMAPTALDH1A1
SCHEMBL6431225 0.79 PYGL (0.82) SETD7KMT2AMEN1HTTMAPT
SCHEMBL6430923 0.78 PYGL (0.82) SETD7KMT2AMEN1HTTMAPT
SCHEMBL9423144 0.77 MAPT (1.00) SETD7KMT2AMEN1MAPTRAB9A
SCHEMBL11124333 0.76 MEN1 (0.55) SETD7KMT2AMEN1HTTMAPT

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 8 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-B1 SULFONAMIDE DERIVATIVES USEFUL AS LIVER CARNITINE PALMITOYL TRANSFERASE (L-CPTl) INHIBITORS HOFFMANN LA ROCHE (CH) 2010-05-05 EP 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 SETD7 1788/4885KMT2A 1890/4885MEN1 4442/4885
US-20120232104-A1 NOVEL SULFONAMIDES AS L-CPT1 INHIBITORS CPT1A, CPT1B, CPT2 SETD7 1788/4885KMT2A 1890/4885MEN1 4442/4885
US-20100144762-A1 NOVEL SULFONAMIDES AS L-CPT1 INHIBITORS CPT1A, CPT1B, CPT2 SETD7 1788/4885KMT2A 1890/4885MEN1 4442/4885
US-20110319438-A1 NOVEL SULFONAMIDES AS L-CPT1 INHIBITORS CPT1A, CPT1B, CPT2 SETD7 1788/4885KMT2A 1890/4885MEN1 4442/4885

“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.