SCHEMBL398399

SCHEMBL398399

O=C(O)CCC[C@H](CO[N+](=O)[O-])O[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.38
PTGS1 P23219 2/20 0.38
LMNA P02545 3/20 0.34
MEN1 O00255 1/20 0.34
BLM P54132 1/20 0.34
HBB P68871 1/20 0.34
KMT2A Q03164 1/20 0.34
HIF1A Q16665 1/20 0.34
ENPEP Q07075 2/20 0.33
GSTK1 Q9Y2Q3 2/20 0.33
SLC22A6 Q4U2R8 1/20 0.32
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
PMP22 Q01453 1/20 0.31
FOLH1 Q04609 1/20 0.31

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
SCHEMBL636113 1.00 PTGS2 (0.38) PTGS2PTGS1LMNAMEN1BLM
SCHEMBL398591 1.00 PTGS2 (0.38) PTGS2PTGS1LMNAMEN1BLM
SCHEMBL13216744 0.95 PTGS1 (0.37) PTGS2PTGS1LMNAMEN1BLM
SCHEMBL13685896 0.90 PTGS2 (0.39) PTGS2PTGS1LMNAMEN1BLM
SCHEMBL23927587 0.90 PTGS2 (0.39) PTGS2PTGS1LMNAMEN1BLM
Citric Acid SCHEMBL21682507 0.88 ALDH1A1 (0.39) PTGS2PTGS1
Citric Acid SCHEMBL23924223 0.88 ALDH1A1 (0.39) PTGS2PTGS1
SCHEMBL3232094 0.88 PTGS2 (0.35) PTGS2PTGS1
SCHEMBL3239231 0.88 PTGS2 (0.35) PTGS2PTGS1
SCHEMBL5183160 0.83 PTGS2 (0.35) PTGS2PTGS1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121665-B1 NITRODERIVATIVES AS ANGIOTENSIN II RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-01-22 EP disclosed
EP-2121664-B1 DINITRATE DERIVATIVES AS ANGIOTENSIN II RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2013-10-16 EP disclosed
EP-2274279-B1 NITRIC OXIDE DONATING PROSTAMIDES NICOX SA (FR) 2013-07-31 EP disclosed
EP-2238143-B1 NITRIC OXIDE DONOR COMPOUNDS NICOX SA (FR) 2012-08-15 EP disclosed
US-8101658-B2 Nitric oxide donating prostamides NICOX S.A. (FR) 2012-01-24 US disclosed
WO-2011101245-A1 NITRIC OXIDE RELEASING COMPOUNDS FOR THE TREATMENT OF NEUROPATHIC PAIN NICOX S.A. (FR) 2011-08-25 WO disclosed
US-8003811-B2 Nitric oxide donor compounds NICOX S.A. (FR) 2011-08-23 US disclosed
WO-2011092065-A1 NITRIC OXIDE RELEASING COMPOUNDS FOR THE TREATMENT OF NEUROPHATIC PAIN NICOX S.A. (FR) 2011-08-04 WO disclosed
EP-2313417-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS Nicox S.A. (FR) 2011-04-27 EP disclosed
US-20110092590-A1 NITRIC OXIDE DONATING PROSTAMIDES NICOX S.A. (FR) 2011-04-21 US disclosed
US-20100249189-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX S.A. (FR) 2010-09-30 US disclosed
US-20100152258-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 2010-06-17 US disclosed
US-20100152259-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS MERCK & CO INC. (US) 2010-06-17 US disclosed
WO-2010015447-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS NICOX S.A. (FR) 2010-02-11 WO disclosed
WO-2009150007-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS NICOX S.A. (FR) 2009-12-17 WO disclosed
EP-2121664-A2 NITRODERIVATIVES AS ANGIOTENSIN II RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2009-11-25 EP disclosed
WO-2009136281-A1 NITRIC OXIDE DONATING PROSTAMIDES NICOX S.A. (FR) 2009-11-12 WO disclosed
WO-2009098113-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX S.A. (FR) 2009-08-13 WO disclosed
US-20080194660-A1 Angiotensin II receptor antagonists MERCK SHARP & DOHME CORP. 2008-08-14 US disclosed
WO-2008076245-A2 NITRODERIVATIVES AS ANGIOTENSIN II RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-06-26 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 (5 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-20080194660-A1 Angiotensin II receptor antagonists AGTR1, AGTR2, REN PTGS2 1456/4885PTGS1 1479/4885LMNA 3849/4885
US-20100249189-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS1, NOS2 PTGS2 105/4885PTGS1 56/4885LMNA 2520/4885
US-20110092590-A1 NITRIC OXIDE DONATING PROSTAMIDES PTGIS, PTGIR, NOS2 PTGS2 6/4885PTGS1 4/4885LMNA 2573/4885
US-20100152258-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS AGTR2, AGTR1, NPY2R PTGS2 856/4885PTGS1 1015/4885LMNA 4134/4885
US-20100152259-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS AGTR1, AGTR2, REN PTGS2 1359/4885PTGS1 1397/4885LMNA 2950/4885

“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.