SCHEMBL4587668

SCHEMBL4587668

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

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 1/20 0.41
TACR1 P25103 2/20 0.40
CTSL P07711 8/20 0.40
CTSB P07858 8/20 0.40
PPARA Q07869 4/20 0.39
PPARG P37231 2/20 0.39
ACE P12821 1/20 0.36

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
SCHEMBL4587660 1.00 TMEM97 (0.41) TMEM97TACR1CTSLCTSBPPARA
SCHEMBL4588470 0.92 PPARA (0.42) CTSLCTSBPPARAPPARGACE
SCHEMBL4588018 0.86 TACR1 (0.35) TACR1CTSLCTSB
SCHEMBL4588022 0.86 TACR1 (0.35) TACR1CTSLCTSB
SCHEMBL4586341 0.83 TMEM97 (0.41) TMEM97
SCHEMBL4586363 0.83 TMEM97 (0.41) TMEM97
SCHEMBL4589192 0.82 TMEM97 (0.39) TMEM97
SCHEMBL4589195 0.80 TSHR (0.40) TMEM97
SCHEMBL4585976 0.76 TMEM97 (0.46) TMEM97
SCHEMBL4586125 0.76 MAPT (0.37) PPARAPPARGACE

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 TMEM97 3841/4885TACR1 1536/4885CTSL 3893/4885

“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.