SCHEMBL12599409

SCHEMBL12599409

CC=CSCC(NC(=O)C(C[S+]([O-])C=CC)NC(=O)CCC(N)C(=O)O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 14/20 0.42
GLO1 Q04760 1/20 0.39
PTGS1 P23219 1/20 0.38
GSTK1 Q9Y2Q3 1/20 0.38
FOLH1 Q04609 2/20 0.36
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
PGGT1B P53609 1/20 0.31

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
SCHEMBL17627315 0.96 NOD1 (0.40) NOD1GLO1PTGS1GSTK1FOLH1
SCHEMBL12599402 0.96 NOD1 (0.40) NOD1GLO1PTGS1GSTK1FOLH1
SCHEMBL12599410 0.87 NOD1 (0.50) NOD1GLO1PTGS1GSTK1FOLH1
SCHEMBL1767296 0.86 NOD1 (0.52) NOD1GLO1PTGS1GSTK1FOLH1
SCHEMBL12599404 0.86 NOD1 (0.52) NOD1GLO1PTGS1GSTK1FOLH1
SCHEMBL12649509 0.86 NOD1 (0.52) NOD1GLO1PTGS1GSTK1FOLH1
SCHEMBL2639637 0.86 NOD1 (0.49) NOD1GLO1PTGS1GSTK1FOLH1
SCHEMBL7641414 0.86 NOD1 (0.49) NOD1GLO1PTGS1GSTK1FOLH1
SCHEMBL21354143 0.84 NOD1 (0.52) NOD1GLO1PTGS1GSTK1FOLH1
SCHEMBL21354144 0.84 NOD1 (0.52) NOD1GLO1PTGS1GSTK1FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2523/4885GLO1 667/4885PTGS1 2198/4885

“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.