SCHEMBL1244882

SCHEMBL1244882

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
PTGS2 P35354 7/20 0.36
PTGS1 P23219 4/20 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
SCHEMBL1244609 1.00 ALDH1A1 (0.37) ALDH1A1PTGS2PTGS1
SCHEMBL989882 1.00 ALDH1A1 (0.37) ALDH1A1PTGS2PTGS1
Ethylene Glycol SCHEMBL11037616 0.92 PTGS2 (0.36) ALDH1A1PTGS2PTGS1
SCHEMBL3982028 0.85 PTGS2 (0.33) PTGS2PTGS1
SCHEMBL11060532 0.81
SCHEMBL3293937 0.81
SCHEMBL23370731 0.77 ALDH1A1 (0.34) ALDH1A1PTGS2PTGS1
SCHEMBL11063062 0.77 LMNA (0.35) ALDH1A1PTGS2
SCHEMBL12374845 0.77 PTGS2 (0.38) ALDH1A1PTGS2PTGS1
SCHEMBL11056580 0.77 PTGS2 (0.35) ALDH1A1PTGS2

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 30 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
US-8367711-B2 Angiotensin II receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
US-8293777-B2 Angiotensin II receptor antagonists MERCK SHARP & DOHME, CORP. (US) 2012-10-23 US disclosed
US-20120238608-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2012-09-20 US disclosed
US-8252825-B2 Angiotensin II receptor antagonists NICOX (IT) 2012-08-28 US disclosed
US-8207208-B2 Angiotensin II receptor antagonists MERCK SHARP & DOHME CORP. (US) 2012-06-26 US disclosed
EP-2373630-A1 NITROOXY DERIVATIVES AS ANGIOTENSIN II RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2011-10-12 EP disclosed
EP-2313417-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS Nicox S.A. (FR) 2011-04-27 EP disclosed
US-20110077279-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS NICOX S.A. (FR) 2011-03-31 US disclosed
US-20100144810-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. 2010-06-10 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
WO-2009140111-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2009-11-19 WO disclosed
WO-2009070241-A2 ANGIOTENSIN II RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2009-06-04 WO disclosed
US-20080242722-A1 Combination Therapy for Treating Cyclooxygenase-2 Mediated Diseases or Conditions in Patients at Risk of Thrombotic Cardiovascular Events DUFRESNE CLAUDE 2008-10-02 US disclosed
US-20080194660-A1 Angiotensin II receptor antagonists MERCK SHARP & DOHME CORP. 2008-08-14 US disclosed
WO-2008076247-A2 NITRODERIVATIVES AS ANGIOTENSIN II RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-06-26 WO disclosed
EP-1603933-A2 NITROSATED AND NITROSYLATED COMPOUNDS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2005-12-14 EP disclosed
WO-2004098538-A2 NITROSATED AND NITROSYLATED COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2004-11-18 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-20110077279-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS AGTR1, AGTR2, AGT ALDH1A1 2089/4885PTGS2 428/4885PTGS1 656/4885
US-20080242722-A1 Combination Therapy for Treating Cyclooxygenase-2 Mediated Diseases or Conditions in Patients at Risk of Thrombotic Cardiovascular Events PTGS2, PTGS1, PTGES2 ALDH1A1 372/4885PTGS2 1/4885PTGS1 2/4885
US-20080194660-A1 Angiotensin II receptor antagonists AGTR1, AGTR2, REN ALDH1A1 3538/4885PTGS2 1456/4885PTGS1 1479/4885
US-20120238608-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS AGTR1, AGTR2, REN ALDH1A1 2760/4885PTGS2 1153/4885PTGS1 1114/4885
US-20100144810-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS AGTR1, AGTR2, REN ALDH1A1 2024/4885PTGS2 861/4885PTGS1 1049/4885

“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.