SCHEMBL3308323

SCHEMBL3308323

CC(C)(C)OC(=O)NC(CCc1ccccc1)C(=O)OCc1ccc(CO[N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.54
CTSK P43235 3/20 0.54
PPARA Q07869 3/20 0.50
PPARG P37231 2/20 0.46
CTSL P07711 6/20 0.46
CTSB P07858 3/20 0.46
CACNA1B Q00975 3/20 0.46
SYK P43405 1/20 0.45
TACR1 P25103 1/20 0.44

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
SCHEMBL8062883 0.89 CTSS (0.65) CTSSCTSKPPARAPPARGCTSL
SCHEMBL8696309 0.89 CTSS (0.65) CTSSCTSKPPARAPPARGCTSL
SCHEMBL3881683 0.89 CTSS (0.65) CTSSCTSKPPARAPPARGCTSL
SCHEMBL22502760 0.87 CTSK (0.60) CTSSCTSKPPARAPPARGCTSL
SCHEMBL17531352 0.86 CTSK (0.59) CTSSCTSKPPARAPPARGCTSL
SCHEMBL3309275 0.86 CTSK (0.54) CTSSCTSKPPARAPPARGCTSL
SCHEMBL3307597 0.86 CTSK (0.54) CTSSCTSKPPARAPPARGCTSL
SCHEMBL3305845 0.86 CTSK (0.54) CTSSCTSKPPARAPPARGCTSL
SCHEMBL4424710 0.86 CTSK (0.54) CTSSCTSKPPARAPPARGCTSL
SCHEMBL3313493 0.85 CTSK (0.50) CTSSCTSKPPARAPPARGCTSL

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
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

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 CTSS 3504/4885CTSK 4066/4885PPARA 2870/4885
US-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 CTSS 3033/4885CTSK 3767/4885PPARA 3262/4885

“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.