SCHEMBL3303620

SCHEMBL3303620

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.40
PPARG P37231 6/20 0.39
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
CTSK P43235 5/20 0.36
CTSS P25774 4/20 0.36
IDO1 P14902 1/20 0.35
ACE P12821 1/20 0.35
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
PPARD Q03181 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 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
SCHEMBL3308623 0.90 PPARA (0.42) PPARAPPARGITGB3ITGA2BCTSK
SCHEMBL13396807 0.88 CA12 (0.35) CTSLCTSBCA12CA1CA2
SCHEMBL13397056 0.87 CYP1A2 (0.34) PPARAPPARGCTSKCTSSCTSL
SCHEMBL4433842 0.85 ITGB3 (0.40) PPARAPPARGITGB3ITGA2BCTSK
SCHEMBL16124730 0.85 EPHX1 (0.38)
SCHEMBL16124741 0.84 CTSK (0.35) PPARAPPARGCTSKCTSSCTSL
SCHEMBL27670281 0.82 PPARA (0.48) PPARAPPARGITGB3ITGA2BCTSK
SCHEMBL4433837 0.81 ITGB3 (0.39) PPARAPPARGITGB3ITGA2BCTSK
SCHEMBL13416387 0.81 PPARA (0.41) PPARAPPARGITGB3ITGA2BCTSK
SCHEMBL3307583 0.81 CYP1A2 (0.39) PPARAPPARGCTSKCTSSCTSL

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-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 PPARA 2870/4885PPARG 3056/4885ITGB3 191/4885
US-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 PPARA 3262/4885PPARG 3312/4885ITGB3 211/4885

“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.