SCHEMBL4589192

SCHEMBL4589192

COC(=O)[C@H](CSCC(=O)C(=O)OCc1cccc(CO[N+](=O)[O-])c1)NC(=O)CC[C@H](N)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 1/20 0.39
LTA4H P09960 4/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
GSTP1 P09211 1/20 0.35
GSTM2 P28161 1/20 0.35
MAPT P10636 1/20 0.35
SLC7A5 Q01650 1/20 0.35
GRM8 O00222 1/20 0.35
GRM6 O15303 1/20 0.35
GRM4 Q14833 1/20 0.35

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
SCHEMBL4589071 0.95 NOD1 (0.35) LTA4HHDAC3HDAC4HDAC1HDAC7
SCHEMBL4587674 0.94 LTA4H (0.36) LTA4HGSTP1GSTM2
SCHEMBL4586341 0.83 TMEM97 (0.41) TMEM97SLC7A5GRM8GRM6GRM4
SCHEMBL4586363 0.83 TMEM97 (0.41) TMEM97SLC7A5GRM8GRM6GRM4
SCHEMBL4587660 0.82 TMEM97 (0.41) TMEM97
SCHEMBL4587668 0.82 TMEM97 (0.41) TMEM97
SCHEMBL4589195 0.81 TSHR (0.40) TMEM97GSTP1GSTM2
SCHEMBL4587404 0.81 LTA4H (0.40) LTA4H
SCHEMBL4588474 0.81 FOLH1 (0.37)
SCHEMBL4587488 0.81 NOD1 (0.42)

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 TMEM97 3841/4885LTA4H 1903/4885HDAC3 606/4885

“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.