SCHEMBL4587129

SCHEMBL4587129

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
ALDH1A1 P00352 2/20 0.35
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
KDM4E B2RXH2 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
NFKB1 P19838 1/20 0.33
PTGS2 P35354 1/20 0.33
THPO P40225 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ACE P12821 1/20 0.31
ICMT O60725 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
SCHEMBL4587822 0.87 MAPT (0.36) MAPTALDH1A1PPARGPPARAKDM4E
SCHEMBL4587000 0.81 ARG1 (0.33) ALDH1A1
SCHEMBL4588338 0.81 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2
SCHEMBL4588333 0.81 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2
SCHEMBL4585907 0.80 MAPT (0.37) MAPTALDH1A1PPARGPPARAKDM4E
SCHEMBL4586125 0.80 MAPT (0.37) MAPTALDH1A1PPARGPPARAKDM4E
SCHEMBL4587226 0.80 CYP1A2 (0.33) SMN1; SMN2
SCHEMBL4587221 0.80 CYP1A2 (0.33) SMN1; SMN2
SCHEMBL4587560 0.79 NOD1 (0.35)
SCHEMBL4587564 0.77 TSHR (0.31)

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 MAPT 3734/4885ALDH1A1 567/4885PPARG 532/4885

“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.