SCHEMBL4586313

SCHEMBL4586313

N[C@@H](CSCC(=O)C(=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-])C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 1/20 0.36
ARG2 P78540 1/20 0.36
PTGS2 P35354 2/20 0.34
NOS2 P35228 3/20 0.33
NOS1 P29475 2/20 0.33
NOS3 P29474 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
SCHEMBL4588017 0.82 ARG1 (0.35) ARG1ARG2NOS2NOS1NOS3
SCHEMBL4587072 0.79 MAPT (0.38) PTGS2
SCHEMBL4589200 0.79 FOLH1 (0.37) PTGS2
SCHEMBL4618533 0.77 PTGS1 (0.33) ARG1ARG2PTGS2
SCHEMBL4587301 0.77 ARG1 (0.35) ARG1ARG2NOS2NOS1NOS3
SCHEMBL4586128 0.77 CA12 (0.35) ARG1ARG2PTGS2NOS2NOS1
SCHEMBL4589162 0.76 ALDH1A1 (0.42) ARG1ARG2NOS2NOS1NOS3
SCHEMBL14571832 0.74 PTGS2 (0.35) ARG1ARG2PTGS2NOS2NOS1
SCHEMBL4588714 0.74 NOS2 (0.33) ARG1ARG2NOS2NOS1NOS3
SCHEMBL4587151 0.74 NOS2 (0.33) ARG1ARG2NOS2NOS1NOS3

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 5 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
EP-1692107-A4 NITRIC OXIDE RELEASING PYRUVATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2008-10-29 EP claimed
EP-1692107-A2 NITRIC OXIDE RELEASING PYRUVATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2006-08-23 EP claimed
WO-2005060603-A2 NITRIC OXIDE RELEASING PYRUVATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2005-07-07 WO 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 ARG1 73/4885ARG2 19/4885PTGS2 177/4885

“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.