SCHEMBL4587703

SCHEMBL4587703

CC(=O)C(=O)NCCOCCO[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TTPA P49638 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ATG4B Q9Y4P1 1/20 0.31
PTGS2 P35354 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
SCHEMBL4586469 0.83 PTGS2 (0.37) MEN1KMT2ACYP2C9ALOX15CYP2C19
SCHEMBL4588442 0.74 MAPT (0.35) MEN1KMT2AALOX15SMN1; SMN2PTGS2
SCHEMBL11792981 0.73 ALDH1A1 (0.46) PTGS2
SCHEMBL1773954 0.73 ALDH1A1 (0.46) PTGS2
SCHEMBL437092 0.73 ALDH1A1 (0.46) PTGS2
SCHEMBL28277555 0.73 ALDH1A1 (0.46) PTGS2
SCHEMBL13396522 0.73 MEN1 (0.51) MEN1KMT2ACYP2C9ALOX15CYP2C19
SCHEMBL439675 0.73 ALDH1A1 (0.46) PTGS2
SCHEMBL13396359 0.72 CA2 (0.43) MEN1KMT2ACYP2C9ALOX15CYP2C19
SCHEMBL23943674 0.71 THRB (0.58) MEN1KMT2AHSD17B10SMN1; SMN2

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 MEN1 4002/4885KMT2A 3995/4885CYP2C9 2139/4885

“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.