SCHEMBL4587271

SCHEMBL4587271

CC(=O)C(=O)N[C@@H](CCCCNC(=O)C(N)CCC(=O)O)C(=O)NC[C@H](CO[N+](=O)[O-])O[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 1/20 0.38
FOLH1 Q04609 1/20 0.34
SIRT5 Q9NXA8 1/20 0.33
SIRT6 Q8N6T7 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
TLR2 O60603 3/20 0.33
LTA4H P09960 1/20 0.33
DPP7 Q9UHL4 1/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
PGGT1B P53609 1/20 0.32
GLP1R P43220 3/20 0.31
GNAI3 P08754 1/20 0.31
GNAO1 P09471 1/20 0.31
GNAI1 P63096 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
SCHEMBL4587262 0.89 FOLH1 (0.36) FOLH1SIRT5SIRT6SIRT1TLR2
SCHEMBL4587984 0.89 NOD1 (0.41) NOD1TLR2GLP1R
SCHEMBL4603752 0.89 NOD1 (0.41) NOD1TLR2GLP1R
SCHEMBL4589185 0.86 NOD1 (0.46) NOD1GLP1R
SCHEMBL4587684 0.86 NOD1 (0.46) NOD1GLP1R
SCHEMBL4587689 0.85 FOLH1 (0.38) FOLH1SIRT5SIRT6SIRT1TLR2
SCHEMBL4588699 0.77 NOD1 (0.39) NOD1FOLH1TLR2
SCHEMBL4587768 0.77 NOD1 (0.39) NOD1FOLH1TLR2
SCHEMBL4588703 0.77 FOLH1 (0.37) FOLH1SIRT5
SCHEMBL4587729 0.75 NOD1 (0.43) NOD1FOLH1

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-20080287407-A1 Nitric Oxide Releasing Pyruvate Compounds, Compositions and Methods of Use NITROMED, INC. (US) 2008-11-20 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-20080287407-A1 Nitric Oxide Releasing Pyruvate Compounds, Compositions and Methods of Use PC, PDK1, NOS3 NOD1 767/4885FOLH1 2571/4885SIRT5 182/4885

“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.