SCHEMBL3307952

SCHEMBL3307952

CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)OCCCC[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.46
CTSS P25774 5/20 0.46
CTSB P07858 2/20 0.46
CTSL P07711 1/20 0.46
ACE P12821 1/20 0.44
TLR2 O60603 1/20 0.44
TLR1 Q15399 1/20 0.44
KLK5 Q9Y337 1/20 0.44
ITGA4 P13612 1/20 0.42
ITGB7 P26010 1/20 0.42
EPHX2 P34913 1/20 0.42
AKT1 P31749 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
PPARA Q07869 1/20 0.41
ATM Q13315 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
PAX8 Q06710 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL3307957 1.00 CTSK (0.46) CTSKCTSSCTSBCTSLACE
SCHEMBL3307950 1.00 CTSK (0.46) CTSKCTSSCTSBCTSLACE
SCHEMBL16124596 0.91 CTSK (0.47) CTSKCTSSCTSBCTSLACE
SCHEMBL3303330 0.88 CTSS (0.53) CTSKCTSSCTSBCTSLACE
SCHEMBL3303326 0.88 CTSS (0.53) CTSKCTSSCTSBCTSLACE
SCHEMBL13396587 0.85 ITGB3 (0.46) CTSBCTSLITGB3ITGA2B
SCHEMBL13396444 0.85 CTSK (0.34) CTSKCTSSBCHEACHEPPARA
SCHEMBL13396513 0.83 CTSK (0.43) CTSKCTSSCTSBCTSLBCHE
SCHEMBL13397021 0.80 CTSL (0.41) CTSBCTSLACE
SCHEMBL3307597 0.80 CTSK (0.54) CTSKCTSSCTSBCTSLACE

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 2 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-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 (1 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-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 CTSK 3767/4885CTSS 3033/4885CTSB 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.