SCHEMBL221241

SCHEMBL221241

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

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.39
PTGS2 P35354 4/20 0.37
PTGS1 P23219 2/20 0.37
ALDH1A1 P00352 1/20 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
SCHEMBL462502 1.00 GSR (0.39) GSRPTGS2PTGS1ALDH1A1
SCHEMBL220160 1.00 GSR (0.39) GSRPTGS2PTGS1ALDH1A1
Water SCHEMBL23421028 0.98 GSR (0.38) GSRPTGS2PTGS1ALDH1A1
Ethylene SCHEMBL6857284 0.96 GSR (0.37) GSRPTGS2PTGS1ALDH1A1
SCHEMBL7611153 0.94 GSR (0.36) GSRPTGS2PTGS1ALDH1A1
Ether SCHEMBL23111929 0.89 PTGS2 (0.36) GSRPTGS2PTGS1
Nitroglycerin SCHEMBL15421 0.86 PTGS2 (0.40) GSRPTGS2PTGS1ALDH1A1
Nitroglycerin SCHEMBL920644 0.86 PTGS2 (0.40) GSRPTGS2PTGS1ALDH1A1
Nitroglycerin SCHEMBL9348180 0.86 PTGS2 (0.38) GSRPTGS2PTGS1ALDH1A1
Nitroglycerin SCHEMBL28125007 0.85 PTGS2 (0.42) GSRPTGS2PTGS1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304409-B2 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use NICOX S.A. (FR) 2012-11-06 US disclosed
US-8222277-B2 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use NICOX S.A. (FR) 2012-07-17 US disclosed
US-8088762-B2 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use NICOX S.A. (FR) 2012-01-03 US disclosed
US-20110098253-A1 Nitrosated Nonsteroidal Antiinflammatory Compounds, Compositions and Methods of Use NICOX S.A. (IT) 2011-04-28 US disclosed
US-7883714-B2 (2R)-2,3-bis(nitrooxy)propyl(2S)-2(6-methoxy(2-naphthyl)propanoate, used for treating inflammation, pain and fever; gastrointestinal disorders; wound healing agents; preventing gastrointestinal, renal and/or respiratory toxicities; side effect reduction; kits NICOX S.A. (FR) 2011-02-08 US disclosed
US-7754772-B2 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use NICOX, S.A. (FR) 2010-07-13 US disclosed
US-20100137291-A1 NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NICOX SA (FR) 2010-06-03 US disclosed
US-20100093671-A1 NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NICOX SA (FR) 2010-04-15 US disclosed
US-20100093708-A1 NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NICOX SA (FR) 2010-04-15 US disclosed
US-7595313-B2 Nitric oxide donating diuretic compounds, compositions and methods of use NICOX, S.A. (FR) 2009-09-29 US disclosed
US-6869973-B2 Compounds that donate, transfer, or release nitric oxide, or induce the production of endogenous nitric oxide or endothelium-derived relaxing factor or is a substrate for nitric oxide synthase NITROMED, INC. (US) 2005-03-22 US disclosed
WO-2004098538-A2 NITROSATED AND NITROSYLATED COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2004-11-18 WO disclosed
US-20040087510-A1 Cardiovascular diseases and disorders; sustained delivery of nitric oxide NITROMED, INC. (US) 2004-05-06 US disclosed
EP-1301500-A4 NITROSATED AND NITROSYLATED TAXANES, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2004-03-31 EP disclosed
US-20040024057-A1 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use related applications NITROMED, INC. 2004-02-05 US disclosed
WO-2004004648-A2 NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2004-01-15 WO disclosed
US-6656966-B2 Taxane containing nitroso (NO) group, or at least one NO and NO2 (nitro) group; treating cardiovascular disease NITROMED, INC. 2003-12-02 US disclosed
EP-1301500-A1 NITROSATED AND NITROSYLATED TAXANES, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2003-04-16 EP disclosed
US-20020010146-A1 Nitrosated and nitrosylated taxanes, compositions and methods of use ARBOR PHARMACEUTICALS, LLC 2002-01-24 US disclosed
WO-2001098286-A1 NITROSATED AND NITROSYLATED TAXANES, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2001-12-27 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-20100093708-A1 NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NOS2, NOS1, NOS3 GSR 136/4885PTGS2 7/4885PTGS1 4/4885
US-20110098253-A1 Nitrosated Nonsteroidal Antiinflammatory Compounds, Compositions and Methods of Use NOS2, NOS1, NOS3 GSR 97/4885PTGS2 7/4885PTGS1 4/4885
US-20040087510-A1 Cardiovascular diseases and disorders; sustained delivery of nitric oxide NOS1, NOS2, NOS3 GSR 184/4885PTGS2 57/4885PTGS1 27/4885
US-20040024057-A1 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use related applications NOS2, NOS1, NOS3 GSR 107/4885PTGS2 7/4885PTGS1 5/4885
US-20100093671-A1 NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NOS2, NOS1, NOS3 GSR 136/4885PTGS2 7/4885PTGS1 4/4885
US-20100137291-A1 NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NOS2, NOS1, NOS3 GSR 136/4885PTGS2 7/4885PTGS1 4/4885
US-20020010146-A1 Nitrosated and nitrosylated taxanes, compositions and methods of use NOS1, NOS2, NOS3 GSR 288/4885PTGS2 70/4885PTGS1 25/4885

“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.