SCHEMBL1244557

SCHEMBL1244557

CC(Cl)OC(=O)OCCCC[C@H](CO[N+](=O)[O-])O[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.36
PTGS1 P23219 2/20 0.36
MAPT P10636 1/20 0.30
CRHBP P24387 1/20 0.30
CRHR2 Q13324 1/20 0.30

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
SCHEMBL1244559 1.00 PTGS2 (0.36) PTGS2PTGS1MAPTCRHBPCRHR2
SCHEMBL12889844 0.88 PTGS2 (0.36) PTGS2PTGS1MAPTCRHBPCRHR2
SCHEMBL12889831 0.88 PTGS2 (0.36) PTGS2PTGS1MAPTCRHBPCRHR2
SCHEMBL21682593 0.87 PTGS2 (0.36) PTGS2PTGS1MAPTCRHBPCRHR2
SCHEMBL12889836 0.85 PTGS2 (0.38) PTGS2PTGS1MAPTCRHBPCRHR2
SCHEMBL13396524 0.83 PTGS2 (0.34) PTGS2PTGS1
SCHEMBL3402840 0.83 MAPT (0.30) PTGS2PTGS1MAPTCRHBPCRHR2
SCHEMBL3404736 0.83 MAPT (0.30) PTGS2PTGS1MAPTCRHBPCRHR2
SCHEMBL3406122 0.83 MAPT (0.30) PTGS2PTGS1MAPTCRHBPCRHR2
SCHEMBL13397043 0.82 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 10 patents. 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
US-7880014-B2 Angiotensin II receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-02-01 US disclosed
US-7880014-B2 Angiotensin II receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-02-01 US disclosed
US-20100152259-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
EP-2121665-A2 NITRODERIVATIVES AS ANGIOTENSIN II RECEPTOR ANTAGONISTS Merck and Co., Inc. (US) 2009-11-25 EP disclosed
US-20080194660-A1 Angiotensin II receptor antagonists MERCK SHARP & DOHME CORP. 2008-08-14 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
WO-2008076246-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 (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-20080194660-A1 Angiotensin II receptor antagonists AGTR1, AGTR2, REN PTGS2 1456/4885PTGS1 1479/4885MAPT 4141/4885
US-20100152259-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS AGTR1, AGTR2, REN PTGS2 1359/4885PTGS1 1397/4885MAPT 4140/4885

“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.