SCHEMBL4593986

SCHEMBL4593986

CCC(CC(=O)C(=O)O)N1CCN(CCO[N+](=O)[O-])CC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
KDM4E B2RXH2 10/20 0.35
ALDH1A1 P00352 10/20 0.35
TDP1 Q9NUW8 4/20 0.35
TP53 P04637 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GAA P10253 2/20 0.31
MAPK1 P28482 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL4594008 0.93 ALDH1A1 (0.35) KDM4EALDH1A1TDP1MEN1KMT2A
SCHEMBL4593551 0.87 KDM4E (0.36) KDM4EALDH1A1TDP1TP53MEN1
SCHEMBL4594077 0.76 KDM4E (0.39) MMP2MMP9KDM4EALDH1A1TDP1
SCHEMBL4594578 0.74 SMN1; SMN2 (0.39) MMP2MMP9KDM4EALDH1A1TDP1
SCHEMBL4593996 0.72 MMP2 (0.39) MMP2MMP9KDM4EALDH1A1TDP1
SCHEMBL14607652 0.72 MMP2 (0.39) MMP2MMP9KDM4EALDH1A1TDP1
SCHEMBL8267774 0.71 DRD3 (0.51) MMP2MMP9ALDH1A1MEN1KMT2A
SCHEMBL14607630 0.70 GNAI3 (0.38) MMP2MMP9ALDH1A1LMNAMAPK1
SCHEMBL14394504 0.69 HRH2 (0.44) ALDH1A1LMNAMAPTHTTL3MBTL1
SCHEMBL4593885 0.68 SMN1; SMN2 (0.39) MMP2MMP9KDM4EALDH1A1TDP1

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 1629/4885KDM4E 2405/4885

“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.