SCHEMBL4589463

SCHEMBL4589463

COC(=O)[C@H](CSCC(=O)C(=O)NCCCO[N+](=O)[O-])NC(=O)NCCCC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
PLA2G4A P47712 1/20 0.34
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.32
PLA2G2A P14555 1/20 0.32
FOLH1 Q04609 5/20 0.32
ALDH1A1 P00352 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
SCHEMBL4586014 0.92 TSHR (0.35) TSHRPLA2G4AMAPTHSD17B10POLB
SCHEMBL4587492 0.89 TSHR (0.35) TSHRMAPTHSD17B10POLBFOLH1
SCHEMBL4588460 0.87 TSHR (0.33) TSHRPOLBFOLH1ALDH1A1
SCHEMBL4588061 0.87 TSHR (0.32) TSHRPLA2G4APOLB
SCHEMBL4586945 0.83 TSHR (0.32) TSHRPOLBFOLH1ALDH1A1
SCHEMBL4589203 0.83 TSHR (0.33) TSHRPOLBFOLH1ALDH1A1
SCHEMBL4586518 0.83 TSHR (0.32) TSHRPOLB
SCHEMBL4587490 0.83 TSHR (0.32) TSHRPOLB
SCHEMBL4588478 0.82 TSHR (0.32) TSHRPOLBFOLH1ALDH1A1
SCHEMBL4587564 0.82 TSHR (0.31) TSHRPOLBFOLH1

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 TSHR 1905/4885PLA2G4A 2235/4885MAPT 3734/4885

“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.