SCHEMBL7110654

SCHEMBL7110654

CCOC(=O)C(Cc1ccccc1)C(O)C(N)[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.45
CPA1 P15085 3/20 0.43
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
METAP2 P50579 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALPI P09923 1/20 0.39
PKM P14618 1/20 0.39
PTGS1 P23219 1/20 0.39
XIAP P98170 1/20 0.39
SLC7A5 Q01650 1/20 0.39
EPHX2 P34913 1/20 0.39
PPARG P37231 1/20 0.39

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
SCHEMBL8069353 0.85 ITGA4 (0.45) CPA1SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL9058449 0.84 MMP8 (0.51) MMP8SLC1A3SLC1A2SLC1A1METAP2
SCHEMBL892960 0.79 MMP8 (0.61) MMP8SLC1A3SLC1A2SLC1A1MEN1
Nitric Acid SCHEMBL27682850 0.77 ALPI (0.51) MMP8CPA1ALPIPKMPTGS1
SCHEMBL8095865 0.76 SLC15A1 (0.46) CPA1SLC1A3SLC1A2SLC1A1ALPI
SCHEMBL5143568 0.76 MMP8 (0.55) MMP8SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL5085947 0.76 MMP8 (0.55) MMP8SLC1A3SLC1A2SLC1A1METAP2
SCHEMBL18289538 0.76 MMP8 (0.49) MMP8CPA1EPHX2PPARG
SCHEMBL18289537 0.76 MMP8 (0.49) MMP8CPA1EPHX2PPARG
SCHEMBL7420068 0.75 MMP8 (0.54) MMP8SLC1A3SLC1A2SLC1A1MEN1

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-20030040644-A1 Synthesis of nitroalcohol diastereomers PHARM-ECO LABORATORIES, INC. 2003-02-27 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-20030040644-A1 Synthesis of nitroalcohol diastereomers ALDH7A1, ADRA1A, ADH1A MMP8 2117/4885CPA1 932/4885SLC1A3 236/4885

“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.