SCHEMBL2739355

SCHEMBL2739355

CC(C)CC1COC2C1OC[C@H]2O[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.64
MAPT P10636 1/20 0.54
BCHE P06276 6/20 0.50
GSR P00390 4/20 0.33
CA2 P00918 1/20 0.32

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
SCHEMBL14394452 0.83 ALDH1A1 (0.70) ALDH1A1MAPTBCHEGSRCA2
Isosorbide Dinitrate SCHEMBL19528695 0.80 ALDH1A1 (1.00) ALDH1A1MAPTBCHEGSRCA2
Isosorbide Dinitrate SCHEMBL8253 0.80 ALDH1A1 (1.00) ALDH1A1MAPTBCHEGSRCA2
Isosorbide Dinitrate SCHEMBL29532755 0.80 ALDH1A1 (1.00) ALDH1A1MAPTBCHEGSRCA2
Isosorbide Dinitrate SCHEMBL9439417 0.80 ALDH1A1 (1.00) ALDH1A1MAPTBCHEGSRCA2
Isosorbide Dinitrate SCHEMBL1553054 0.80 ALDH1A1 (1.00) ALDH1A1MAPTBCHEGSRCA2
Isosorbide Dinitrate SCHEMBL309369 0.80 ALDH1A1 (1.00) ALDH1A1MAPTBCHEGSRCA2
SCHEMBL21524683 0.79 ALDH1A1 (0.75) ALDH1A1MAPTBCHEGSRCA2
SCHEMBL5148865 0.79 ALDH1A1 (0.64) ALDH1A1MAPTBCHEGSRCA2
SCHEMBL13205185 0.78 ALDH1A1 (0.68) ALDH1A1MAPTBCHEGSRCA2

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 17 patents. 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-20090131342-A1 Nitrosated and/or nitrosylated compounds, compositions and methods of use NITROMED, INC. (US) 2009-05-21 US disclosed
US-20080300292-A1 Nitrosated and Nitrosylated Compounds, Compositions and Methods for the Treatment of Ophthalmic Disorders NITROMED, INC (US) 2008-12-04 US disclosed
US-7282519-B2 Nitrosated and nitrosylated diuretic compounds, compositions and methods of use NITROMED, INC. (US) 2007-10-16 US disclosed
US-20070238740-A1 Nitrosated And Nitrosylated Cardiovascular Compounds, Compositions And Methods Of Use NITROMED, INC. (US) 2007-10-11 US disclosed
US-20070179150-A1 NITROSATED PROTON PUMP INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2007-08-02 US disclosed
US-7211590-B2 Nitrosated proton pump inhibitors, compositions and methods of use NITROMED, INC. (US) 2007-05-01 US disclosed
US-7163958-B2 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use NITROMED INC. (US) 2007-01-16 US disclosed
US-20070010571-A1 Nitrosated and nitrosylated cardiovascular compounds, compositions and methods of use NITROMED, INC. (US) 2007-01-11 US 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 (9 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 ALDH1A1 385/4885MAPT 3779/4885BCHE 3103/4885
US-20110098253-A1 Nitrosated Nonsteroidal Antiinflammatory Compounds, Compositions and Methods of Use NOS2, NOS1, NOS3 ALDH1A1 377/4885MAPT 3591/4885BCHE 2245/4885
US-20090131342-A1 Nitrosated and/or nitrosylated compounds, compositions and methods of use LTC4S, LTB4R2, LTB4R ALDH1A1 738/4885MAPT 4768/4885BCHE 3001/4885
US-20100093671-A1 NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NOS2, NOS1, NOS3 ALDH1A1 385/4885MAPT 3779/4885BCHE 3103/4885
US-20080300292-A1 Nitrosated and Nitrosylated Compounds, Compositions and Methods for the Treatment of Ophthalmic Disorders NOS3, NOS1, NOS2 ALDH1A1 143/4885MAPT 1788/4885BCHE 438/4885
US-20070179150-A1 NITROSATED PROTON PUMP INHIBITORS, COMPOSITIONS AND METHODS OF USE NOS1, PTGS1, NOS2 ALDH1A1 1299/4885MAPT 4520/4885BCHE 1882/4885
US-20070010571-A1 Nitrosated and nitrosylated cardiovascular compounds, compositions and methods of use REN, ACE, AGTR1 ALDH1A1 312/4885MAPT 2651/4885BCHE 752/4885
US-20100137291-A1 NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NOS2, NOS1, NOS3 ALDH1A1 385/4885MAPT 3779/4885BCHE 3103/4885
US-20070238740-A1 Nitrosated And Nitrosylated Cardiovascular Compounds, Compositions And Methods Of Use REN, ECE1, EDNRA ALDH1A1 1323/4885MAPT 2585/4885BCHE 1091/4885

“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.