SCHEMBL7166267

SCHEMBL7166267

COc1cc(Cl)c(N2C(=O)C(=O)c3ccccc32)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 5/20 0.47
ALDH1A1 P00352 3/20 0.47
BCHE P06276 2/20 0.47
CES2 O00748 1/20 0.47
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NR1H3 Q13133 2/20 0.47
NR1H2 P55055 1/20 0.47
CHRM5 P08912 1/20 0.47
MAPK14 Q16539 4/20 0.46
SCN2A Q99250 1/20 0.43
TTR P02766 1/20 0.42
CASP3 P42574 2/20 0.42
MAPT P10636 3/20 0.41
TP53 P04637 2/20 0.41
APAF1 O14727 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL11409331 0.80 CES1 (0.58) CES1ALDH1A1BCHECES2GAA
SCHEMBL30596240 0.80 CES1 (0.58) CES1ALDH1A1BCHECES2GAA
SCHEMBL30596238 0.80 CES1 (0.58) CES1ALDH1A1BCHECES2GAA
SCHEMBL5658435 0.77 ALDH1A1 (0.63) CES1ALDH1A1BCHECES2GAA
SCHEMBL3047148 0.76 ALDH1A1 (0.67) CES1ALDH1A1BCHECES2GAA
SCHEMBL13223634 0.74 ESR1 (0.54) CES1ALDH1A1BCHECES2GAA
SCHEMBL11561791 0.74 CES1 (0.50) CES1ALDH1A1BCHECES2GAA
SCHEMBL9735350 0.72 CES1 (0.49) CES1ALDH1A1BCHECES2GAA
SCHEMBL13223628 0.72 KMT2A (0.60) CES1ALDH1A1BCHECES2GAA
SCHEMBL9235862 0.72 SCN2A (0.68) ALDH1A1GAANR1H3NR1H2SCN2A

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-6552077-B2 Kidney disorders EXOCELL, INC. 2003-04-22 US disclosed
EP-1242069-A2 ALBUMIN-BINDING COMPOUNDS THAT PREVENT NONENZYMATIC GLYCATION AND THAT MAY BE USED FOR TREATMENT OF GLYCATION-RELATED PATHOLOGIES EXOCELL, INC. (US) 2002-09-25 EP disclosed
US-6355680-B1 BLOCKING REACTION OF GLUCOSE AND ALBUMIN EXOCELL, INC. 2002-03-12 US disclosed
US-20010034359-A1 Albumin-binding compounds that prevent nonenzymatic glycation and that may be used for treatment of glycation-related pathologies EXOCELL, INC. 2001-10-25 US disclosed
WO-2001003684-A2 ALBUMIN-BINDING COMPOUNDS THAT PREVENT NONENZYMATIC GLYCATION AND THAT MAY BE USED FOR TREATMENT OF GLYCATION-RELATED PATHOLOGIES EXOCELL, INC. (US) 2001-01-18 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-20010034359-A1 Albumin-binding compounds that prevent nonenzymatic glycation and that may be used for treatment of glycation-related pathologies ALB, AGER, TTR CES1 1639/4885ALDH1A1 942/4885BCHE 534/4885

“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.