SCHEMBL4587674

SCHEMBL4587674

COC(=O)[C@H](CSCC(=O)C(=O)OCc1ccc(CO[N+](=O)[O-])cc1)NC(=O)CC[C@H](N)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.36
GSTP1 P09211 1/20 0.35
GSTM2 P28161 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA9 Q16790 1/20 0.35
NOD1 Q9Y239 5/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL4589071 0.95 NOD1 (0.35) LTA4HNOD1ALDH1A1NPSR1
SCHEMBL4589192 0.94 TMEM97 (0.39) LTA4HGSTP1GSTM2
SCHEMBL4587404 0.83 LTA4H (0.40) LTA4HNOD1PPARG
SCHEMBL4587488 0.83 NOD1 (0.42) NOD1
SCHEMBL4588474 0.83 FOLH1 (0.37) NOD1
SCHEMBL4586937 0.83 NOD1 (0.36) NOD1ALDH1A1
SCHEMBL4586511 0.82 NOD1 (0.35) NOD1
SCHEMBL4587485 0.82 NOD1 (0.35) NOD1
SCHEMBL4589200 0.81 FOLH1 (0.37) NOD1
SCHEMBL4587156 0.81 CA12 (0.44) CA12CA1CA2CA4CA9

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 LTA4H 1903/4885GSTP1 596/4885GSTM2 1327/4885

“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.