SCHEMBL4587689

SCHEMBL4587689

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

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 11/20 0.38
SIRT5 Q9NXA8 3/20 0.35
TLR2 O60603 2/20 0.32
GLP1R P43220 2/20 0.31
SIRT6 Q8N6T7 1/20 0.31
SIRT1 Q96EB6 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 0.94 FOLH1 (0.36) FOLH1SIRT5TLR2GLP1RSIRT6
SCHEMBL4586378 0.88 FOLH1 (0.39) FOLH1SIRT5
SCHEMBL4587658 0.85 PTGS1 (0.36) FOLH1
SCHEMBL4587271 0.85 NOD1 (0.38) FOLH1SIRT5TLR2GLP1RSIRT6
SCHEMBL4589185 0.85 NOD1 (0.46) GLP1R
SCHEMBL4587684 0.85 NOD1 (0.46) GLP1R
SCHEMBL4588703 0.81 FOLH1 (0.37) FOLH1SIRT5
SCHEMBL4603752 0.80 NOD1 (0.41) TLR2GLP1R
SCHEMBL4587984 0.80 NOD1 (0.41) TLR2GLP1R
SCHEMBL4587331 0.78 PTGS1 (0.36) FOLH1

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 FOLH1 2571/4885SIRT5 182/4885TLR2 2383/4885

“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.