SCHEMBL2012234

SCHEMBL2012234

CC(CC(=O)O)O[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.38
PTGS2 P35354 2/20 0.38
GSR P00390 1/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.35
CPA1 P15085 1/20 0.34
SLC22A6 Q4U2R8 1/20 0.33
MEN1 O00255 1/20 0.33
BLM P54132 1/20 0.33
HBB P68871 1/20 0.33
KMT2A Q03164 1/20 0.33
HIF1A Q16665 1/20 0.33
CACNA2D1 P54289 2/20 0.32
CACNB3 P54284 1/20 0.32
CACNA1C Q13936 1/20 0.32
PGR P06401 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 1/20 0.32
CACNA2D2 Q9NY47 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
Ethane SCHEMBL2010620 0.98 PTGS1 (0.37) PTGS1PTGS2GSRLMNASMN1; SMN2
Methane SCHEMBL2010936 0.98 PTGS1 (0.37) PTGS1PTGS2GSRLMNASMN1; SMN2
SCHEMBL29000747 0.83 ALDH1A1 (0.42) PTGS1PTGS2GSRSMN1; SMN2CPA1
SCHEMBL2010934 0.79 TSHR (0.36) PTGS1PTGS2GSRSMN1; SMN2HTT
SCHEMBL396281 0.76 LMNA (0.38) PTGS1PTGS2LMNASLC22A6MEN1
SCHEMBL2010617 0.76 LMNA (0.40) PTGS1PTGS2LMNASMN1; SMN2TDP1
SCHEMBL396280 0.76 LMNA (0.38) PTGS1PTGS2LMNASLC22A6MEN1
SCHEMBL397367 0.76 LMNA (0.38) PTGS1PTGS2LMNASLC22A6MEN1
SCHEMBL18244469 0.75 PTGS2 (0.48) PTGS1PTGS2GSRCPA1TSHR
SCHEMBL9952503 0.75 LMNA (0.34) GSRLMNASMN1; SMN2SLC22A6MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3618819-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF Exciva GmbH (DE) 2020-03-11 EP claimed
US-20200069674-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF Exciva GmbH (DE) 2020-03-05 US claimed
CN-110831584-A Targeted drug rescue with novel compositions, combinations and methods thereof 埃克塞瓦有限责任公司 2020-02-21 CN claimed
WO-2018204713-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF EXCIVA UG (HAFTUNGSBESCHRÄNKT) (DE) 2018-11-08 WO claimed
EP-3041365-B1 USE OF A FEED COMPOSITION FOR REDUCING METHANE EMISSION IN RU-MINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP ASSETS BV (NL) 2018-04-04 EP claimed
CN-106165771-A The application of 2,2 pairs of methyl 3 (nitrooxy) propanoic acid 南京农业大学 2016-11-30 CN claimed
EP-2509435-B1 NITROOXY ALKANOIC ACIDS AND DERIVATIVES THEREOF IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP ASSETS BV (NL) 2014-02-26 EP claimed
CN-110831584-B Targeted drug rescue with novel compositions, combinations and methods thereof 埃克塞瓦有限责任公司 2023-03-10 CN disclosed
US-11478467-B2 Targeted drug rescue with novel compositions, combinations, and methods thereof Exciva GmbH (DE) 2022-10-25 US disclosed
US-20220296586-A1 NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF Vepachedu, Sreenivasarao (US) 2022-09-22 US disclosed
US-20210289794-A1 COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE FLAGSHIP PIONEERING INNOVATIONS V, INC. 2021-09-23 US disclosed
EP-3094333-B1 NO-RELEASING NITROOXY-CHROMENE CONJUGATES EUCLISES PHARMACEUTICALS INC (US) 2020-10-14 EP disclosed
US-20200261442-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF VEPACHEDU SREENIVASARAO (US) 2020-08-20 US disclosed
WO-2015109011-A1 NO-RELEASING NITROOXY-CHROMENE CONJUGATES Euclises Pharmaceuticals, Inc. (US) 2015-07-23 WO disclosed
US-8784871-B2 Nitrooxy alkanoic acids and derivatives thereof in feed for reducing methane emission in ruminants, and/or to improve ruminant performance DSM IP ASSETS B.V. (NL) 2014-07-22 US disclosed
US-20140134282-A1 NITROOXY ALKANOIC ACIDS AND DERIVATIVES THEREOF IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP ASSETS B.V. (NL) 2014-05-15 US disclosed
EP-2509435-B1 NITROOXY ALKANOIC ACIDS AND DERIVATIVES THEREOF IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP ASSETS BV (NL) 2014-02-26 EP disclosed
US-20120315339-A1 NITROOXY ALKANOIC ACIDS AND DERIVATIVES THEREOF IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP ASSETS B.V. (NL) 2012-12-13 US disclosed
EP-2509435-A1 NITROOXY ALKANOIC ACIDS AND DERIVATIVES THEREOF IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP Assets B.V. (NL) 2012-10-17 EP disclosed
WO-2011070133-A1 NITROOXY ALKANOIC ACIDS AND DERIVATIVES THEREOF IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP ASSETS B.V. (NL) 2011-06-16 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 (6 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-11478467-B2 Targeted drug rescue with novel compositions, combinations, and methods thereof HTR2A, HTR2C, CYP3A43 PTGS1 1568/4885PTGS2 514/4885GSR 1139/4885
US-20140134282-A1 NITROOXY ALKANOIC ACIDS AND DERIVATIVES THEREOF IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE PIGS, TECR, CYP4X1 PTGS1 741/4885PTGS2 788/4885GSR 85/4885
US-20120315339-A1 NITROOXY ALKANOIC ACIDS AND DERIVATIVES THEREOF IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE PIGS, TECR, CYP4X1 PTGS1 741/4885PTGS2 788/4885GSR 85/4885
US-20200069674-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF HTR2A, HTR2C, CYP3A43 PTGS1 1568/4885PTGS2 514/4885GSR 1139/4885
US-20220296586-A1 NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF CYP2D6, HTR2A, CYP3A43 PTGS1 1195/4885PTGS2 736/4885GSR 1079/4885
US-20200261442-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF HTR2C, HTR2A, HTR3A PTGS1 1519/4885PTGS2 586/4885GSR 1026/4885

“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.