SCHEMBL2037828

SCHEMBL2037828

O=C(O)CCCC(O)[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
MEN1 O00255 1/20 0.43
BLM P54132 1/20 0.43
HBB P68871 1/20 0.43
KMT2A Q03164 1/20 0.43
HIF1A Q16665 1/20 0.43
SLC22A6 Q4U2R8 1/20 0.42
ENPEP Q07075 2/20 0.41
GSTK1 Q9Y2Q3 2/20 0.41
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
PMP22 Q01453 1/20 0.40
FFAR4 Q5NUL3 1/20 0.38
FFAR1 O14842 1/20 0.38
TET2 Q6N021 3/20 0.38
KDM4A O75164 2/20 0.38
KDM4C Q9H3R0 2/20 0.38
KDM2A Q9Y2K7 2/20 0.38
TET3 O43151 1/20 0.38
FOLH1 Q04609 1/20 0.37

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
SCHEMBL2010910 0.86 TET2 (0.46) LMNAMEN1BLMHBBKMT2A
SCHEMBL23429906 0.80 LMNA (0.44) LMNAMEN1BLMHBBKMT2A
SCHEMBL23429943 0.77 GSTK1 (0.48) LMNAMEN1BLMHBBKMT2A
SCHEMBL11597290 0.77 LMNA (0.41) LMNAMEN1BLMHBBKMT2A
SCHEMBL23429896 0.77 LMNA (0.41) LMNAMEN1BLMHBBKMT2A
SCHEMBL3239628 0.77 LMNA (0.41) LMNAMEN1BLMHBBKMT2A
SCHEMBL23429963 0.75 GSTK1 (0.50) LMNASLC22A6ENPEPGSTK1TSHR
SCHEMBL23429912 0.75 GSTK1 (0.50) LMNASLC22A6ENPEPGSTK1TSHR
SCHEMBL23429966 0.75 GSTK1 (0.50) LMNASLC22A6ENPEPGSTK1TSHR
SCHEMBL23429897 0.75 GSTK1 (0.50) LMNASLC22A6ENPEPGSTK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014153113-A2 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF 3 AMINO-N-CYCLOPROPYL-2 HYDROXYPROPIONAMIDE DERIVATIVES VIROBAY, INC. (US) 2014-09-25 WO claimed
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
WO-2014153113-A2 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF 3 AMINO-N-CYCLOPROPYL-2 HYDROXYPROPIONAMIDE DERIVATIVES VIROBAY, INC. (US) 2014-09-25 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 (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 LMNA 901/4885MEN1 4082/4885BLM 4677/4885
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 LMNA 901/4885MEN1 4082/4885BLM 4677/4885

“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.