SCHEMBL660692

SCHEMBL660692

C[C@H](N)C(=O)N[C@@H](CCC(=O)NC(N)(CCCCC(=O)O)C(=O)O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 6/20 0.49
GNPAT O15228 2/20 0.39
FOLH1 Q04609 7/20 0.36
NAALAD2 Q9Y3Q0 2/20 0.36
RIMKLA Q8IXN7 1/20 0.36

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
SCHEMBL1249331 1.00 NOD1 (0.49) NOD1GNPATFOLH1NAALAD2RIMKLA
SCHEMBL15401429 0.92 NOD1 (0.51) NOD1GNPAT
SCHEMBL7918137 0.84 NOD1 (0.39) NOD1GNPAT
SCHEMBL1373235 0.81 ALDH1A1 (0.36) NAALAD2
SCHEMBL2467621 0.80 BHMT (0.48) NOD1FOLH1
SCHEMBL28727840 0.77 FOLH1 (0.56) NOD1GNPATFOLH1NAALAD2RIMKLA
SCHEMBL29517639 0.77 FOLH1 (0.56) NOD1GNPATFOLH1NAALAD2RIMKLA
SCHEMBL28727831 0.77 FOLH1 (0.56) NOD1GNPATFOLH1NAALAD2RIMKLA
SCHEMBL23044064 0.76 FOLH1 (0.60) NOD1FOLH1NAALAD2RIMKLA
SCHEMBL2490631 0.76 FOLH1 (0.60) NOD1FOLH1NAALAD2RIMKLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046329-A1 MODULATORS OF NOD1 AND NOD2 SIGNALING, METHODS OF IDENTIFYING MODULATORS OF NOD1 AND NOD2 SIGNALING, AND USES THEREOF SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2012-02-23 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-20120046329-A1 MODULATORS OF NOD1 AND NOD2 SIGNALING, METHODS OF IDENTIFYING MODULATORS OF NOD1 AND NOD2 SIGNALING, AND USES THEREOF NOD2, NOD1, NLRP1 NOD1 2/4885GNPAT 3806/4885FOLH1 2164/4885

“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.