SCHEMBL3310047

SCHEMBL3310047

CC(C)(C)OC(=O)N[C@H](COC(=O)CCCO[N+](=O)[O-])Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.51
APP P05067 4/20 0.43
ACE P12821 1/20 0.43
KLK5 Q9Y337 2/20 0.43
CTSS P25774 2/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSK P43235 1/20 0.42
SYK P43405 1/20 0.41
CYP3A4 P08684 5/20 0.41
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
PPARA Q07869 1/20 0.39

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
SCHEMBL3310054 1.00 ATM (0.51) ATMAPPACEKLK5CTSS
SCHEMBL3310051 1.00 ATM (0.51) ATMAPPACEKLK5CTSS
SCHEMBL13416349 0.84 ATM (0.53) ATMAPPACEKLK5CTSS
SCHEMBL13397115 0.82 CA1 (0.35) CTSK
SCHEMBL6516567 0.82 KMT2A (0.41) CYP3A4
SCHEMBL6516559 0.82 KMT2A (0.41) CYP3A4
SCHEMBL6516573 0.82 KMT2A (0.41) CYP3A4
SCHEMBL28168068 0.82 ATM (0.65) ATMAPPACEKLK5CTSS
SCHEMBL3306254 0.81 AAK1 (0.41) CTSSCTSLCTSBCTSK
SCHEMBL3303326 0.80 CTSS (0.53) ATMACEKLK5CTSSCTSL

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 4 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-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 ATM 1136/4885APP 2355/4885ACE 2012/4885
US-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 ATM 1128/4885APP 2628/4885ACE 2055/4885

“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.