SCHEMBL3307583

SCHEMBL3307583

CC(C)(C)OC(=O)NC(CO)C(=O)OCCCCO[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
CTSK P43235 6/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CTSS P25774 4/20 0.36
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
CA12 O43570 3/20 0.36
CA9 Q16790 3/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
GSTP1 P09211 1/20 0.35
GSTM2 P28161 1/20 0.35
CA7 P43166 1/20 0.35
CTSL P07711 2/20 0.34
CTSB P07858 1/20 0.34
PTGS2 P35354 1/20 0.34
CA4 P22748 1/20 0.34

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
SCHEMBL4433837 0.88 ITGB3 (0.39) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL13396343 0.88 CTSL (0.46) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL3307162 0.88 CYP1A2 (0.40) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL3307159 0.88 CYP1A2 (0.40) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL13396534 0.86 CTSK (0.34) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL13396444 0.85 CTSK (0.34) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL3308250 0.85 CYP1A2 (0.41) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL3308251 0.85 CYP1A2 (0.41) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL13397058 0.85 CA12 (0.37) CA1CA2CA12CA9PTGS2
SCHEMBL16124589 0.83 CTSK (0.37) CYP1A2CYP2C9CYP2C19HTTCTSK

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125695-B1 NITRIC OXIDE DONOR COMPOUNDS NICOX SCIENCE IRELAND (IE) 2016-10-26 EP disclosed
US-9266820-B2 Nitric oxide donor compounds NICOX SCIENCE IRELAND (IE) 2016-02-23 US disclosed
US-9266820-B2 Nitric oxide donor compounds NICOX SCIENCE IRELAND (IE) 2016-02-23 US disclosed
US-20140288142-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX SA (FR) 2014-09-25 US disclosed
US-20140288142-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX SA (FR) 2014-09-25 US disclosed
US-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX S.A. (FR) 2010-04-22 US disclosed
US-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX S.A. (FR) 2010-04-22 US disclosed
EP-2125695-A2 NITRIC OXIDE DONOR COMPOUNDS Nicox S.A. (FR) 2009-12-02 EP disclosed
WO-2008095841-A2 NITRIC OXIDE DONOR COMPOUNDS NICOX S.A. (FR) 2008-08-14 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 (2 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-20140288142-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 CYP1A2 356/4885CYP2C9 240/4885CYP2C19 122/4885
US-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 CYP1A2 406/4885CYP2C9 221/4885CYP2C19 132/4885

“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.