SCHEMBL4588024

SCHEMBL4588024

CC(C)(CNC(=O)C(=O)CSC[C@H](N)C(=O)O)CO[N+](=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BHMT Q93088 3/20 0.33
NOS2 P35228 3/20 0.32
NOS1 P29475 2/20 0.32
NOS3 P29474 1/20 0.32
ARG1 P05089 1/20 0.32
ARG2 P78540 1/20 0.32
KIF11 P52732 1/20 0.32
PTGS1 P23219 1/20 0.30
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
SCHEMBL4587534 0.86 ALDH1A1 (0.34) NOS2NOS1NOS3ARG1ARG2
SCHEMBL4587770 0.83 MAPT (0.36) PTGS2
SCHEMBL4588053 0.82 GLO1 (0.35) BHMTPTGS1
SCHEMBL4588714 0.81 NOS2 (0.33) BHMTNOS2NOS1NOS3ARG1
SCHEMBL5150879 0.78 CYP1A2 (0.36) BHMTNOS1PTGS1PTGS2
SCHEMBL4587098 0.78 ARG1 (0.33) NOS2NOS1NOS3ARG1ARG2
SCHEMBL4587151 0.77 NOS2 (0.33) NOS2NOS1NOS3ARG1ARG2
SCHEMBL4586374 0.76 TLR2 (0.32) ARG1ARG2
SCHEMBL4618533 0.75 PTGS1 (0.33) ARG1ARG2PTGS1PTGS2
SCHEMBL4587301 0.74 ARG1 (0.35) NOS2NOS1NOS3ARG1ARG2

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-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 BHMT 746/4885NOS2 5/4885NOS1 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.