SCHEMBL4586419

SCHEMBL4586419

CC(=O)C(=O)OCc1ccc(CO[N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA4 P22748 1/20 0.52
CA9 Q16790 1/20 0.52
ALDH1A1 P00352 2/20 0.41
MAOB P27338 2/20 0.39
HTT P42858 3/20 0.38
PTGS2 P35354 1/20 0.38
HTR2A P28223 1/20 0.38
RAB9A P51151 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
MAOA P21397 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL4587595 0.90 CA12 (0.43) CA12CA1CA2CA4CA9
SCHEMBL4586795 0.88 CA12 (0.42) CA12CA1CA2CA4CA9
SCHEMBL4585976 0.88 TMEM97 (0.46) CA12CA1CA2CA4CA9
SCHEMBL16599071 0.84 CA12 (0.44) CA12CA1CA2CA4CA9
SCHEMBL12861014 0.79 MAOB (0.59) CA12CA1CA2CA4CA9
SCHEMBL16599337 0.77 MAPT (0.47) CA12CA1CA2CA4CA9
SCHEMBL3310088 0.77 CA1 (0.56) CA12CA1CA2CA4CA9
SCHEMBL4128246 0.76 CA2 (0.50) CA12CA1CA2CA4CA9
SCHEMBL13234395 0.74 ALDH1A1 (0.70) CA12CA1CA2CA9ALDH1A1
SCHEMBL13234406 0.74 ALDH1A1 (0.70) CA12CA1CA2CA9ALDH1A1

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 8 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
EP-1692107-A4 NITRIC OXIDE RELEASING PYRUVATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2008-10-29 EP claimed
EP-1692107-A2 NITRIC OXIDE RELEASING PYRUVATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2006-08-23 EP claimed
WO-2005060603-A2 NITRIC OXIDE RELEASING PYRUVATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2005-07-07 WO claimed
US-20080287407-A1 Nitric Oxide Releasing Pyruvate Compounds, Compositions and Methods of Use NITROMED, INC. (US) 2008-11-20 US disclosed
EP-1692107-A4 NITRIC OXIDE RELEASING PYRUVATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2008-10-29 EP disclosed
EP-1692107-A2 NITRIC OXIDE RELEASING PYRUVATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2006-08-23 EP disclosed
WO-2005060603-A2 NITRIC OXIDE RELEASING PYRUVATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2005-07-07 WO 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 CA12 3074/4885CA1 2391/4885CA2 1505/4885

“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.