SCHEMBL4585987

SCHEMBL4585987

O=C(O)C(=O)CCN1CCC(O[N+](=O)[O-])CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
APEX1 P27695 1/20 0.35
KDM4E B2RXH2 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 1/20 0.34
TP53 P04637 2/20 0.34
TMEM97 Q5BJF2 4/20 0.34
BCHE P06276 2/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
GSR P00390 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
HTR2A P28223 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
PKM P14618 1/20 0.32
NFKB1 P19838 1/20 0.32

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
SCHEMBL4587607 0.91 KDM4E (0.38) ALDH1A1SMN1; SMN2KDM4ECYP2D6CYP2C19
SCHEMBL4586997 0.90 KDM4E (0.40) KDM4ECYP2D6CYP2C19TMEM97BCHE
SCHEMBL5154489 0.80 SLC18A3 (0.38) ALDH1A1SMN1; SMN2KDM4ECYP2C19TMEM97
SCHEMBL5148816 0.78 GSR (0.35) KDM4ECYP2D6CYP2C19TMEM97BCHE
SCHEMBL9330677 0.77 HRH3 (0.40) SMN1; SMN2
SCHEMBL9330490 0.77 ALOX15 (0.41) GSRCARM1PRMT6
SCHEMBL5153918 0.77 GSR (0.33) TMEM97GSRSIGMAR1
Fumaric Acid SCHEMBL9348851 0.77 CHRM3 (0.38) TMEM97BCHECARM1PRMT6
Fumaric Acid SCHEMBL9348940 0.77 CHRM3 (0.38) SMN1; SMN2
SCHEMBL5151000 0.76 ALDH1A1 (0.35) ALDH1A1TSHRSMN1; SMN2KDM4ECYP2D6

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 ALDH1A1 567/4885TSHR 1905/4885SMN1; SMN2 2227/4885

“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.