SCHEMBL4587231

SCHEMBL4587231

O=C(O)C(=O)CCC(CO[N+](=O)[O-])O[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.38
PTGS1 P23219 2/20 0.38
MAPK1 P28482 1/20 0.30
SLC13A3 Q8WWT9 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30
OR51E2 Q9H255 1/20 0.30
GSR P00390 1/20 0.30

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
SCHEMBL4587252 1.00 PTGS2 (0.38) PTGS2PTGS1MAPK1SLC13A3EGLN1
SCHEMBL13685896 0.88 PTGS2 (0.39) PTGS2PTGS1GSR
SCHEMBL23927587 0.88 PTGS2 (0.39) PTGS2PTGS1GSR
SCHEMBL13979203 0.83 PTGS2 (0.39) PTGS2PTGS1
SCHEMBL398399 0.81 PTGS2 (0.38) PTGS2PTGS1
SCHEMBL636113 0.81 PTGS2 (0.38) PTGS2PTGS1
SCHEMBL398591 0.81 PTGS2 (0.38) PTGS2PTGS1
SCHEMBL5154159 0.81 PTGS2 (0.37) PTGS2PTGS1
SCHEMBL5151084 0.81 PTGS2 (0.37) PTGS2PTGS1
SCHEMBL13216744 0.80 PTGS1 (0.37) PTGS2PTGS1

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 8 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
EP-1692107-A4 NITRIC OXIDE RELEASING PYRUVATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2008-10-29 EP disclosed
EP-1692107-A2 NITRIC OXIDE RELEASING PYRUVATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2006-08-23 EP disclosed
WO-2005060603-A2 NITRIC OXIDE RELEASING PYRUVATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2005-07-07 WO 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 PTGS2 177/4885PTGS1 83/4885MAPK1 1295/4885

“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.