SCHEMBL4587404

SCHEMBL4587404

COC(=O)[C@H](CSCC(=O)C(=O)OCCOc1ccc(OCCO[N+](=O)[O-])cc1)NC(=O)CC[C@H](N)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 8/20 0.40
NOD1 Q9Y239 2/20 0.35
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
PPARG P37231 1/20 0.34
GLO1 Q04760 1/20 0.33

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
SCHEMBL4587488 0.87 NOD1 (0.42) NOD1GLO1
SCHEMBL4588864 0.84 MAPT (0.38) ITGB3ITGA2BPPARG
SCHEMBL4588856 0.84 MAPT (0.38) ITGB3ITGA2BPPARG
SCHEMBL4587674 0.83 LTA4H (0.36) LTA4HNOD1PPARG
SCHEMBL4587718 0.82 CA12 (0.38)
SCHEMBL4587704 0.82 CA12 (0.38)
SCHEMBL4589071 0.82 NOD1 (0.35) LTA4HNOD1GLO1
SCHEMBL4589192 0.81 TMEM97 (0.39) LTA4H
SCHEMBL4588474 0.81 FOLH1 (0.37) NOD1GLO1
SCHEMBL4586937 0.81 NOD1 (0.36) NOD1GLO1

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 LTA4H 1903/4885NOD1 767/4885ITGB3 2773/4885

“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.