SCHEMBL1767277

SCHEMBL1767277

C/C=C/SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 11/20 0.49
FOLH1 Q04609 3/20 0.47
GLO1 Q04760 1/20 0.45
PTGS1 P23219 1/20 0.44
GSTK1 Q9Y2Q3 1/20 0.44
GRM8 O00222 1/20 0.42
GRM6 O15303 1/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GSR P00390 1/20 0.42
CYP1A2 P05177 1/20 0.42
GRIK1 P39086 1/20 0.42
GRM5 P41594 1/20 0.42
GRIA1 P42261 1/20 0.42
GRIA2 P42262 1/20 0.42
GRIA3 P42263 1/20 0.42
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
GRIA4 P48058 1/20 0.42

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
SCHEMBL12599404 0.96 NOD1 (0.52) NOD1FOLH1GLO1PTGS1GSTK1
SCHEMBL1767296 0.96 NOD1 (0.52) NOD1FOLH1GLO1PTGS1GSTK1
SCHEMBL12649509 0.96 NOD1 (0.52) NOD1FOLH1GLO1PTGS1GSTK1
SCHEMBL12599410 0.95 NOD1 (0.50) NOD1FOLH1GLO1PTGS1GSTK1
SCHEMBL1767143 0.90 NOD1 (0.52) NOD1FOLH1GLO1PTGS1GSTK1
SCHEMBL21354144 0.90 NOD1 (0.52) NOD1FOLH1GLO1PTGS1GSTK1
SCHEMBL28418920 0.90 NOD1 (0.52) NOD1FOLH1GLO1PTGS1GSTK1
SCHEMBL21354143 0.90 NOD1 (0.52) NOD1FOLH1GLO1PTGS1GSTK1
SCHEMBL20138499 0.86 DPP4 (0.48) NOD1FOLH1GRM8GRM6GRIN2D
SCHEMBL20138496 0.86 DPP4 (0.48) NOD1FOLH1GRM8GRM6GRIN2D

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
EP-2496097-B1 NATURAL FLAVOUR ENHANCERS AND THE METHOD FOR MAKING SAME PEPSICO INC (US) 2016-03-30 EP disclosed
US-8703223-B2 Natural flavour enhancers from Allium PEPSICO, INC. (US) 2014-04-22 US disclosed
US-8524302-B2 Natural flavour enhancers and methods for making same PEPSICO (US) 2013-09-03 US disclosed
US-20130060006-A1 Natural Flavour Enhancers and Methods for Making Same PEPSICO, INC. (US) 2013-03-07 US disclosed
US-20110104351-A1 Natural Flavour Enhancers and Methods for Making Same FRITO-LAY TRADING COMPANY EUROPE GMBH (CH) 2011-05-05 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 (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-20130060006-A1 Natural Flavour Enhancers and Methods for Making Same TAS2R5, TAS1R2, TAS2R30 NOD1 2523/4885FOLH1 2911/4885GLO1 667/4885

“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.