SCHEMBL4589200

SCHEMBL4589200

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

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.37
NOD1 Q9Y239 12/20 0.36
GLO1 Q04760 1/20 0.35
PTGS1 P23219 1/20 0.34
GSTK1 Q9Y2Q3 1/20 0.34
PTGS2 P35354 1/20 0.32

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
SCHEMBL4588474 0.89 FOLH1 (0.37) FOLH1NOD1GLO1PTGS1GSTK1
SCHEMBL4588456 0.85 FOLH1 (0.37) FOLH1NOD1GLO1PTGS1GSTK1
SCHEMBL4587488 0.85 NOD1 (0.42) FOLH1NOD1GLO1PTGS1GSTK1
SCHEMBL4586937 0.84 NOD1 (0.36) FOLH1NOD1GLO1PTGS1GSTK1
SCHEMBL4587485 0.83 NOD1 (0.35) FOLH1NOD1GLO1PTGS1GSTK1
SCHEMBL4586511 0.83 NOD1 (0.35) FOLH1NOD1GLO1PTGS1GSTK1
SCHEMBL4589071 0.82 NOD1 (0.35) FOLH1NOD1GLO1PTGS1GSTK1
SCHEMBL4587560 0.82 NOD1 (0.35) FOLH1NOD1GLO1PTGS1GSTK1
SCHEMBL4587674 0.81 LTA4H (0.36) NOD1
SCHEMBL4587404 0.79 LTA4H (0.40) NOD1GLO1

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 FOLH1 2571/4885NOD1 767/4885GLO1 245/4885

“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.