SCHEMBL3303326

SCHEMBL3303326

CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)OCCCCO[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.53
CTSK P43235 4/20 0.53
CTSB P07858 2/20 0.53
CTSL P07711 1/20 0.53
ACE P12821 2/20 0.51
KLK5 Q9Y337 1/20 0.50
EPHX2 P34913 1/20 0.47
TLR2 O60603 1/20 0.47
TLR1 Q15399 1/20 0.47
AKT1 P31749 1/20 0.47
ATM Q13315 1/20 0.47
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
ITGA4 P13612 1/20 0.46
ITGB7 P26010 1/20 0.46

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
SCHEMBL3303330 1.00 CTSS (0.53) CTSSCTSKCTSBCTSLACE
SCHEMBL1943993 0.91 CTSS (0.53) CTSSCTSKCTSBCTSLACE
SCHEMBL1943989 0.91 CTSS (0.53) CTSSCTSKCTSBCTSLACE
SCHEMBL3307597 0.90 CTSK (0.54) CTSSCTSKCTSBCTSLACE
SCHEMBL28438702 0.88 PPARA (0.59) CTSSCTSKCTSBCTSLTLR2
SCHEMBL3307957 0.88 CTSK (0.46) CTSSCTSKCTSBCTSLACE
SCHEMBL3307950 0.88 CTSK (0.46) CTSSCTSKCTSBCTSLACE
SCHEMBL3307952 0.88 CTSK (0.46) CTSSCTSKCTSBCTSLACE
SCHEMBL4424710 0.88 CTSK (0.54) CTSSCTSKCTSBCTSLACE
SCHEMBL3305845 0.88 CTSK (0.54) CTSSCTSKCTSBCTSLACE

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 4066/4885CTSB 1959/4885
US-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 CTSS 3033/4885CTSK 3767/4885CTSB 2074/4885

“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.