SCHEMBL4587098

SCHEMBL4587098

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

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 1/20 0.33
ARG2 P78540 1/20 0.33
NOS1 P29475 4/20 0.33
OTC P00480 1/20 0.33
NOS2 P35228 4/20 0.32
NOS3 P29474 2/20 0.32

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
SCHEMBL4586374 0.88 TLR2 (0.32) ARG1ARG2
SCHEMBL4587971 0.81 ALDH1A1 (0.36)
SCHEMBL4589462 0.81 NOD1 (0.41)
SCHEMBL4586128 0.79 CA12 (0.35) ARG1ARG2NOS1NOS2NOS3
SCHEMBL4588024 0.78 BHMT (0.33) ARG1ARG2NOS1NOS2NOS3
SCHEMBL4618533 0.77 PTGS1 (0.33) ARG1ARG2
SCHEMBL4587301 0.76 ARG1 (0.35) ARG1ARG2NOS1NOS2NOS3
SCHEMBL4587534 0.76 ALDH1A1 (0.34) ARG1ARG2NOS1NOS2NOS3
SCHEMBL5148890 0.75 OTC (0.43) NOS1OTCNOS2NOS3
SCHEMBL9497864 0.73 DPP7 (0.37) NOS1

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 ARG1 73/4885ARG2 19/4885NOS1 4/4885

“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.