SCHEMBL3305845

SCHEMBL3305845

CC(C)(C)OC(=O)NC(CCc1ccccc1)C(=O)OCCCO[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.54
CTSS P25774 4/20 0.54
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
PPARA Q07869 3/20 0.43
PPARG P37231 2/20 0.43
ACE P12821 1/20 0.42
SCN9A Q15858 1/20 0.42
ATM Q13315 1/20 0.40

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
SCHEMBL4424710 1.00 CTSK (0.54) CTSKCTSSBCHEACHECTSL
SCHEMBL3307597 0.98 CTSK (0.54) CTSKCTSSBCHEACHECTSL
SCHEMBL3309275 0.92 CTSK (0.54) CTSKCTSSBCHEACHECTSL
SCHEMBL28438703 0.89 CTSK (0.52) CTSKCTSSBCHEACHECTSL
SCHEMBL3313127 0.88 CTSK (0.53) CTSKCTSSCTSLCTSBPPARA
SCHEMBL3303326 0.88 CTSS (0.53) CTSKCTSSCTSLCTSBACE
SCHEMBL3303330 0.88 CTSS (0.53) CTSKCTSSCTSLCTSBACE
SCHEMBL3308323 0.86 CTSS (0.54) CTSKCTSSCTSLCTSBPPARA
SCHEMBL13396474 0.85 CTSK (0.62) CTSKCTSSCTSLCTSB
SCHEMBL28438702 0.84 PPARA (0.59) CTSKCTSSCTSLCTSBPPARA

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
US-20140288142-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX SA (FR) 2014-09-25 US claimed
US-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX S.A. (FR) 2010-04-22 US claimed
EP-2125695-A2 NITRIC OXIDE DONOR COMPOUNDS Nicox S.A. (FR) 2009-12-02 EP claimed
WO-2008095841-A2 NITRIC OXIDE DONOR COMPOUNDS NICOX S.A. (FR) 2008-08-14 WO claimed
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
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 CTSK 4066/4885CTSS 3504/4885BCHE 2821/4885
US-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 CTSK 3767/4885CTSS 3033/4885BCHE 2693/4885

“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.