SCHEMBL4587515

SCHEMBL4587515

N[C@@H](CO[N+](=O)[O-])c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 9/20 0.52
GSR P00390 1/20 0.46
TACR1 P25103 4/20 0.42
PTGS2 P35354 1/20 0.40

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
SCHEMBL14000549 1.00 SCN4A (0.52) SCN4AGSRTACR1PTGS2
SCHEMBL8957372 0.82 GSR (0.50) GSRPTGS2
SCHEMBL9872237 0.79 GSR (0.47) GSRTACR1PTGS2
SCHEMBL9803273 0.76 GSR (0.67) GSRPTGS2
SCHEMBL2782707 0.75 SCN4A (0.68) SCN4ATACR1
SCHEMBL4588667 0.75 EPHX1 (0.53) SCN4ATACR1
SCHEMBL4588669 0.75 GSR (0.44) SCN4AGSRPTGS2
SCHEMBL9198000 0.75 NPC1 (0.51) SCN4AGSR
SCHEMBL22051985 0.73 SCN4A (0.65) SCN4ATACR1
SCHEMBL8957388 0.72 GSR (0.47) GSRPTGS2

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 3 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 disclosed
US-20080287407-A1 Nitric Oxide Releasing Pyruvate Compounds, Compositions and Methods of Use NITROMED, INC. (US) 2008-11-20 US disclosed
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 SCN4A 3814/4885GSR 40/4885TACR1 1536/4885

“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.