SCHEMBL2011703

SCHEMBL2011703

CCC(CCO[N+](=O)[O-])C(=O)NC

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.36
CA2 P00918 5/20 0.36
ALDH1A1 P00352 4/20 0.34
LMNA P02545 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33
CA7 P43166 2/20 0.33
CA14 Q9ULX7 2/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.31
HTT P42858 1/20 0.30
MAPK1 P28482 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
SCHEMBL2009665 0.90 CA2 (0.41) CA1CA2ALDH1A1LMNANPSR1
SCHEMBL2010170 0.83 ALDH1A1 (0.35) CA1CA2ALDH1A1LMNANPSR1
SCHEMBL2013994 0.81 CA2 (0.47) CA1CA2MAPK1
SCHEMBL18664295 0.72 HDAC7 (0.54) CA1CA2ALDH1A1NPSR1MEN1
SCHEMBL18664332 0.72 HDAC7 (0.54) CA1CA2ALDH1A1NPSR1MEN1
SCHEMBL14894716 0.71 CA2 (0.53) CA1CA2MAPK1
SCHEMBL6871426 0.71
SCHEMBL23754691 0.71 ALDH1A1 (0.33) ALDH1A1
SCHEMBL15484625 0.70 CA2 (0.52) CA1CA2MAPK1
SCHEMBL15484701 0.69 CA2 (0.50) CA1CA2MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9365489-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) 2016-06-14 US 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 (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-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 CA1 1747/4885CA2 1208/4885ALDH1A1 2126/4885
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 CA1 1747/4885CA2 1208/4885ALDH1A1 2126/4885

“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.