SCHEMBL4586374

SCHEMBL4586374

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

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 4/20 0.32
ARG1 P05089 1/20 0.32
ARG2 P78540 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CYP2C9 P11712 1/20 0.30
ALOX15 P16050 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL4587098 0.88 ARG1 (0.33) ARG1ARG2
SCHEMBL4588442 0.82 MAPT (0.35) TLR2MEN1KMT2AALOX15
SCHEMBL4586012 0.81 NOD1 (0.38)
SCHEMBL5148905 0.76 GRM8 (0.37) KMT2AALOX15
SCHEMBL4588024 0.76 BHMT (0.33) ARG1ARG2
SCHEMBL4618533 0.75 PTGS1 (0.33) ARG1ARG2
SCHEMBL4587301 0.74 ARG1 (0.35) ARG1ARG2
SCHEMBL4587534 0.74 ALDH1A1 (0.34) ARG1ARG2
SCHEMBL13396485 0.73 MEN1 (0.41) TLR2MEN1KMT2ACYP2C9ALOX15
SCHEMBL13396359 0.72 CA2 (0.43) TLR2MEN1KMT2ACYP2C9ALOX15

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 1 patent. 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

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 TLR2 2383/4885ARG1 73/4885ARG2 19/4885

“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.