SCHEMBL4589075

SCHEMBL4589075

COC(=O)[C@H](CSCC(=O)C(=O)OCc1cc(CO[N+](=O)[O-])cc(CO[N+](=O)[O-])c1)NC(=O)NCCCC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
POLB P06746 1/20 0.36
FOLH1 Q04609 6/20 0.36
HTT P42858 1/20 0.34
ALDH1A1 P00352 1/20 0.33
ATM Q13315 1/20 0.33
KMT2A Q03164 1/20 0.32
GSTP1 P09211 1/20 0.32
GSTM2 P28161 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
SCHEMBL4589195 0.95 TSHR (0.40) TSHRPOLBFOLH1HTTATM
SCHEMBL4587681 0.94 FOLH1 (0.39) TSHRPOLBFOLH1HTTALDH1A1
SCHEMBL4587492 0.85 TSHR (0.35) TSHRPOLBFOLH1ALDH1A1
SCHEMBL4588478 0.84 TSHR (0.32) TSHRPOLBFOLH1ALDH1A1
SCHEMBL4588018 0.83 TACR1 (0.35) GSTP1GSTM2
SCHEMBL4588022 0.83 TACR1 (0.35) GSTP1GSTM2
SCHEMBL4586945 0.83 TSHR (0.32) TSHRPOLBFOLH1ALDH1A1
SCHEMBL4589203 0.83 TSHR (0.33) TSHRPOLBFOLH1ALDH1A1
SCHEMBL4587490 0.83 TSHR (0.32) TSHRPOLB
SCHEMBL4586518 0.83 TSHR (0.32) TSHRPOLB

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 TSHR 1905/4885POLB 3153/4885FOLH1 2571/4885

“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.