SCHEMBL3308623

SCHEMBL3308623

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.42
PPARG P37231 8/20 0.40
CTSS P25774 5/20 0.35
CTSK P43235 4/20 0.35
IDO1 P14902 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
ACE P12821 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
PPARD Q03181 2/20 0.34
ITGAV P06756 1/20 0.34
ITGB6 P18564 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
GSTP1 P09211 1/20 0.33
GSTM2 P28161 1/20 0.33

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
SCHEMBL3303620 0.90 PPARA (0.40) PPARAPPARGCTSSCTSKIDO1
SCHEMBL13396783 0.88 PTGS1 (0.31) CTSLCTSB
SCHEMBL13397056 0.88 CYP1A2 (0.34) PPARAPPARGCTSSCTSKCTSL
SCHEMBL16124723 0.85 PTGS1 (0.31) CTSLCTSB
SCHEMBL16124646 0.84 PPARA (0.46) PPARAPPARGCTSSCTSKIDO1
SCHEMBL16124741 0.83 CTSK (0.35) PPARAPPARGCTSSCTSKCTSL
SCHEMBL13416738 0.81 PPARA (0.43) PPARAPPARGCTSSCTSKIDO1
SCHEMBL27670281 0.81 PPARA (0.48) PPARAPPARGCTSSCTSKIDO1
SCHEMBL13396977 0.80 MEN1 (0.43) CTSSCTSKITGAVITGB6
SCHEMBL5148954 0.77 GLP1R (0.41) PPARAPPARGCTSSCTSKACE

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 7 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-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 3056/4885CTSS 3504/4885
US-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 PPARA 3262/4885PPARG 3312/4885CTSS 3033/4885

“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.