SCHEMBL636596

SCHEMBL636596

O=[N+]([O-])OCC(CCCCO)O[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.34
PTGS1 P23219 2/20 0.34
GSR P00390 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
SCHEMBL1244636 1.00 PTGS2 (0.34) PTGS2PTGS1GSR
SCHEMBL1244648 1.00 PTGS2 (0.34) PTGS2PTGS1GSR
SCHEMBL1242354 0.95 PTGS2 (0.37) PTGS2PTGS1GSR
SCHEMBL1242135 0.95 PTGS2 (0.37) PTGS2PTGS1GSR
SCHEMBL17554625 0.91 GSR (0.30) GSR
SCHEMBL1243887 0.87 PTGS2 (0.36) PTGS2PTGS1GSR
SCHEMBL7448724 0.87 PTGS2 (0.36) PTGS2PTGS1GSR
SCHEMBL4370859 0.87 PTGS2 (0.36) PTGS2PTGS1GSR
SCHEMBL11782405 0.84 CA12 (0.35) PTGS2PTGS1
SCHEMBL8267033 0.82 ALDH1A1 (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 70 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240245684-A1 NITRIC OXIDE RELEASING PHOSPHODIESTERASE TYPE 5 INHIBITOR NICOX S.A. (FR) 2024-07-25 US disclosed
US-11980618-B2 Nitric oxide releasing phosphodiesterase type 5 inhibitor NICOX S.A. (FR) 2024-05-14 US disclosed
US-20210322413-A1 NITRIC OXIDE RELEASING PHOSPHODIESTERASE TYPE 5 INHIBITOR NICOX S.A. (FR) 2021-10-21 US disclosed
EP-3833395-A1 NITRIC OXIDE RELEASING PHOSPHODIESTERASE TYPE 5 INHIBITOR Nicox S.A. (FR) 2021-06-16 EP disclosed
WO-2020030489-A1 NITRIC OXIDE RELEASING PHOSPHODIESTERASE TYPE 5 INHIBITOR NICOX S.A. (FR) 2020-02-13 WO disclosed
CN-106795099-B prodrugs and compositions for the treatment of hypertension and cardiovascular disease 南京奥昭生物科技有限公司 2019-11-26 CN disclosed
US-10280138-B2 Nitric oxide donating derivatives of fluprostenol NICOX S.A. (FR) 2019-05-07 US disclosed
WO-2018224419-A1 NITRIC OXIDE DONATING ISOMANNIDE DERIVATIVES NICOX S.A. (FR) 2018-12-13 WO disclosed
US-10093696-B2 Nitric oxide donating carnosine compounds NICOX SCIENCE IRELAND (IE) 2018-10-09 US disclosed
US-20180118677-A1 NITRIC OXIDE DONATING DERIVATIVES OF FLUPROSTENOL NICOX S.A. (FR) 2018-05-03 US disclosed
US-20080194660-A1 Angiotensin II receptor antagonists MERCK SHARP & DOHME CORP. 2008-08-14 US disclosed
WO-2008076246-A2 NITRODERIVATIVES AS ANGIOTENSIN II RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-06-26 WO disclosed
WO-2008076247-A2 NITRODERIVATIVES AS ANGIOTENSIN II RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-06-26 WO disclosed
WO-2008076245-A2 NITRODERIVATIVES AS ANGIOTENSIN II RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-06-26 WO disclosed
EP-1711457-A4 NITRIC OXIDE RELEASING PRODRUGS OF DIARYL-2-(5H)-FURANONES AS CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST COMPANY (CA) 2008-01-09 EP disclosed
EP-1711454-A4 COMBINATION THERAPY FOR TREATING CYCLOOXYGENASE-2 MEDIATED DISEASES OR CONDITIONS IN PATIENTS AT RISK OF THROMBOTIC CARDIOVASCULAR EVENTS MERCK FROSST COMPANY (CA) 2007-04-04 EP disclosed
EP-1711454-A1 COMBINATION THERAPY FOR TREATING CYCLOOXYGENASE-2 MEDIATED DISEASES OR CONDITIONS IN PATIENTS AT RISK OF THROMBOTIC CARDIOVASCULAR EVENTS Merck Frosst Company (CA) 2006-10-18 EP disclosed
EP-1711457-A1 NITRIC OXIDE RELEASING PRODRUGS OF DIARYL-2-(5H)-FURANONES AS CYCLOOXYGENASE-2 INHIBITORS Merck Frosst Company (CA) 2006-10-18 EP disclosed
WO-2005070874-A1 NITRIC OXIDE RELEASING PRODRUGS OF DIARYL-2-(5H)-FURANONES AS CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST COMPANY (CA) 2005-08-04 WO disclosed
WO-2005070868-A1 COMBINATION THERAPY FOR TREATING CYCLOOXYGENASE-2 MEDIATED DISEASES OR CONDITIONS IN PATIENTS AT RISK OF THROMBOTIC CARDIOVASCULAR EVENTS MERCK FROSST COMPANY (CA) 2005-08-04 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 (7 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-11980618-B2 Nitric oxide releasing phosphodiesterase type 5 inhibitor PDE5A, PDE3A, PDE3B PTGS2 55/4885PTGS1 42/4885GSR 563/4885
US-20180118677-A1 NITRIC OXIDE DONATING DERIVATIVES OF FLUPROSTENOL PTGIS, NOS2, PTGIR PTGS2 9/4885PTGS1 6/4885GSR 132/4885
US-20080194660-A1 Angiotensin II receptor antagonists AGTR1, AGTR2, REN PTGS2 1456/4885PTGS1 1479/4885GSR 1878/4885
US-10093696-B2 Nitric oxide donating carnosine compounds NOS1, NOS2, NOS3 PTGS2 62/4885PTGS1 19/4885GSR 40/4885
US-10280138-B2 Nitric oxide donating derivatives of fluprostenol PTGIS, NOS2, PTGIR PTGS2 9/4885PTGS1 6/4885GSR 132/4885
US-20210322413-A1 NITRIC OXIDE RELEASING PHOSPHODIESTERASE TYPE 5 INHIBITOR PDE5A, PDE6A, PDE3A PTGS2 43/4885PTGS1 36/4885GSR 745/4885
US-20240245684-A1 NITRIC OXIDE RELEASING PHOSPHODIESTERASE TYPE 5 INHIBITOR PDE5A, PDE3A, PDE6A PTGS2 42/4885PTGS1 35/4885GSR 667/4885

“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.