SCHEMBL4587658

SCHEMBL4587658

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

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.36
PTGS2 P35354 2/20 0.36
FOLH1 Q04609 2/20 0.35
PLA2G4A P47712 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
SCHEMBL4586378 0.97 FOLH1 (0.39) PTGS1PTGS2FOLH1PLA2G4A
SCHEMBL4587331 0.93 PTGS1 (0.36) PTGS1PTGS2FOLH1
SCHEMBL4588703 0.90 FOLH1 (0.37) PTGS1PTGS2FOLH1
SCHEMBL4589088 0.86 PTGS1 (0.37) PTGS1PTGS2FOLH1
SCHEMBL4587689 0.85 FOLH1 (0.38) FOLH1
SCHEMBL4587653 0.83 NOD1 (0.42) PTGS1PTGS2FOLH1
SCHEMBL4587282 0.83 NOD1 (0.42) PTGS1PTGS2FOLH1
SCHEMBL4587318 0.82 PTGS1 (0.37) PTGS1PTGS2PLA2G4A
SCHEMBL4588489 0.82 PTGS1 (0.34) PTGS1PTGS2PLA2G4A
SCHEMBL4587729 0.81 NOD1 (0.43) PTGS1PTGS2FOLH1

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 2 patents. 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 claimed
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 PTGS1 83/4885PTGS2 177/4885FOLH1 2571/4885

“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.