SCHEMBL4586677

SCHEMBL4586677

CC(=O)C(=O)N1CCC(CO[N+](=O)[O-])CC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 1/20 0.33
GAA P10253 2/20 0.31
GPR119 Q8TDV5 2/20 0.31
F10 P00742 2/20 0.31
HTT P42858 3/20 0.31
SIGMAR1 Q99720 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL4587467 0.82 MMP2 (0.38) MMP2MMP9MAPTGAAALDH1A1
SCHEMBL2803121 0.81 MMP2 (0.36) MMP2MMP9GAAGPR119HTT
SCHEMBL9329897 0.81 MMP2 (0.36) MMP2MMP9GAAGPR119F10
SCHEMBL14394505 0.78 FAAH (0.40) MMP2MMP9MAPTGAAGPR119
SCHEMBL213173 0.78 GPR119 (0.51) MAPTGPR119ALDH1A1LMNA
SCHEMBL4587726 0.76 GSR (0.36) MAPTGAA
SCHEMBL23829716 0.73
SCHEMBL6438537 0.73 ALDH1A1 (0.40) MMP2MMP9SIGMAR1ALDH1A1
SCHEMBL9875012 0.73 ALDH1A1 (0.40) MMP2MMP9SIGMAR1ALDH1A1
SCHEMBL15722371 0.72 GAA (0.41) L3MBTL1MAPTGAAALDH1A1

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 MMP2 2437/4885MMP9 1629/4885L3MBTL1 1931/4885

“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.