SCHEMBL4588048

SCHEMBL4588048

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

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
NOS1 P29475 1/20 0.31
ALOX15 P16050 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30
KMT2A Q03164 1/20 0.30
SLC1A1 P43005 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
SCHEMBL4586725 1.00 PTGS1 (0.33) PTGS1PTGS2NOS1ALOX15BLM
SCHEMBL4586739 1.00 PTGS1 (0.33) PTGS1PTGS2NOS1ALOX15BLM
SCHEMBL4588055 1.00 PTGS1 (0.33) PTGS1PTGS2NOS1ALOX15BLM
SCHEMBL4586699 0.84 PTGS1 (0.33) PTGS1PTGS2
SCHEMBL4588735 0.84 PTGS1 (0.33) PTGS1PTGS2
SCHEMBL4586713 0.84 PTGS1 (0.33) PTGS1PTGS2
SCHEMBL4587335 0.84 PTGS1 (0.33) PTGS1PTGS2
SCHEMBL5151428 0.79 PTGS1 (0.37) PTGS1PTGS2NOS1ALOX15BLM
SCHEMBL5151041 0.74 PTGS2 (0.42) PTGS1PTGS2NOS1ALOX15BLM
SCHEMBL5183569 0.74 PTGS2 (0.42) PTGS1PTGS2NOS1ALOX15BLM

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 PTGS1 83/4885PTGS2 177/4885NOS1 4/4885

“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.