SCHEMBL636296

SCHEMBL636296

CC(C)(C)OC(=O)CCCC(CO[N+](=O)[O-])O[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.34
PTGS1 P23219 2/20 0.34

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
SCHEMBL636297 1.00 PTGS2 (0.34) PTGS2PTGS1
SCHEMBL3236736 0.90 PTGS1 (0.32) PTGS2PTGS1
SCHEMBL18115163 0.88 CA1 (0.33) PTGS2PTGS1
SCHEMBL12754381 0.86 EPHX2 (0.30)
SCHEMBL10104151 0.86 EPHX2 (0.30)
SCHEMBL13863668 0.84 TSHR (0.41) PTGS2PTGS1
SCHEMBL3238990 0.83 PTGS2 (0.33) PTGS2PTGS1
SCHEMBL21682522 0.82 MAPT (0.40) PTGS2PTGS1
SCHEMBL3232042 0.80 PTGS1 (0.30) PTGS2PTGS1
SCHEMBL397512 0.80 EPHX2 (0.32)

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2326652-B1 NITRO DERIVATIVES OF FURASEMIDE AND THEIR USE AS DIURETICS MERCK SHARP & DOHME (US) 2014-04-16 EP disclosed
EP-2238143-B1 NITRIC OXIDE DONOR COMPOUNDS NICOX SA (FR) 2012-08-15 EP disclosed
US-8119806-B2 Cicletanine derivatives MERCK SHARP & DOHME CORP. (US) 2012-02-21 US disclosed
US-8003811-B2 Nitric oxide donor compounds NICOX S.A. (FR) 2011-08-23 US disclosed
EP-2326652-A1 NITRO DERIVATIVES OF FURASEMIDE AND THEIR USE AS DIURETICS Merck Sharp & Dohme Corp. (US) 2011-06-01 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-20100249189-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX S.A. (FR) 2010-09-30 US disclosed
WO-2010014516-A1 NITRO DERIVATIVES OF FURASEMIDE AND THEIR USE AS DIURETICS MERCK & CO., INC. (US) 2010-02-04 WO disclosed
US-20100029678-A1 DIURETICS MERCK SHARP & DOHME CORP. 2010-02-04 US disclosed
WO-2009150007-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS NICOX S.A. (FR) 2009-12-17 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-20110077279-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS AGTR1, AGTR2, AGT PTGS2 428/4885PTGS1 656/4885
US-20100029678-A1 DIURETICS NR3C2, REN, NR3C1 PTGS2 1871/4885PTGS1 1395/4885
US-20100249189-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS1, NOS2 PTGS2 105/4885PTGS1 56/4885

“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.