SCHEMBL3308060

SCHEMBL3308060

CC(C)(C)OC(=O)NCCCC[C@H](N)C(=O)OCCCCO[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 10/20 0.48
CA2 P00918 10/20 0.48
CA12 O43570 7/20 0.48
CA9 Q16790 7/20 0.48
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
TDP1 Q9NUW8 3/20 0.43
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
ATM Q13315 1/20 0.37
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
POLB P06746 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36

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
SCHEMBL3308055 1.00 CA1 (0.48) CA1CA2CA12CA9MEN1
SCHEMBL16124565 0.84 CA12 (0.53) CA1CA2CA12CA9MEN1
SCHEMBL30466165 0.83 CA12 (0.54) CA1CA2CA12CA9MEN1
SCHEMBL29429187 0.83 CA12 (0.51) CA1CA2CA12CA9MEN1
SCHEMBL3399899 0.83 CA12 (0.51) CA1CA2CA12CA9MEN1
Hydrochloric Acid SCHEMBL29396310 0.82 CA12 (0.50) CA1CA2CA12CA9MEN1
SCHEMBL3307021 0.82 DPP8 (0.49) CA1CA2CA12CA9MEN1
SCHEMBL14135372 0.81 CA1 (0.50) CA1CA2CA12CA9MEN1
SCHEMBL14135110 0.81 CA1 (0.50) CA1CA2CA12CA9MEN1
SCHEMBL20381100 0.81 TDP1 (0.54) CA1CA2CA12CA9MEN1

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 12 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-20110052674-A1 ANGIOTENSIN II RECEPTOR BLOCKER DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2011-03-03 US disclosed
EP-2250164-A2 ANGIOTENSIN II RECEPTOR BLOCKER DERIVATIVES Nicox S.A. (FR) 2010-11-17 EP 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
EP-2125695-A2 NITRIC OXIDE DONOR COMPOUNDS Nicox S.A. (FR) 2009-12-02 EP disclosed
WO-2009106471-A2 NEW ANGIOTENSIN II RECEPTOR BLOCKER DERIVATIVES NICOX S.A. (FR) 2009-09-03 WO 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 (3 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 CA1 4365/4885CA2 2916/4885CA12 4275/4885
US-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 CA1 4414/4885CA2 2652/4885CA12 4290/4885
US-20110052674-A1 ANGIOTENSIN II RECEPTOR BLOCKER DERIVATIVES AGTR1, AGTR2, AGT CA1 4707/4885CA2 1953/4885CA12 4398/4885

“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.