SCHEMBL2162273

SCHEMBL2162273

O=C(O)C(F)(CF)[N+](=O)[O-]

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACLY P53396 2/20 0.32
LMNA P02545 2/20 0.31
THRB P10828 1/20 0.31
MEN1 O00255 1/20 0.31
BLM P54132 1/20 0.31
HBB P68871 1/20 0.31
KMT2A Q03164 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL8161200 0.69 ALDH1A1 (0.35) LMNATHRBMEN1BLMHBB
SCHEMBL11576700 0.69
SCHEMBL11287209 0.67
Trifluoroacetic Acid SCHEMBL7737453 0.66 MEN1 (0.35) LMNATHRBMEN1BLMHBB
SCHEMBL9510521 0.66
SCHEMBL11595886 0.66 TSHR (0.37) LMNA
Trifluoroacetic Acid SCHEMBL2208820 0.66 CA5A (0.50) LMNATHRBMEN1BLMHBB
SCHEMBL9481179 0.65
SCHEMBL719462 0.64 ACLY (0.42) ACLYTHRB
Trifluoroacetic Acid SCHEMBL27696714 0.64 CA5A (0.47) LMNATHRBMEN1BLMHBB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791268-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof for treating pain and other conditions GRUENENTHAL GMBH (DE) 2014-07-29 US disclosed
US-8642775-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof for treating pain and other conditions GRUENENTHAL GMBH (DE) 2014-02-04 US disclosed
US-20110184020-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process For Making Them, and Use Thereof For Treating Pain and Other Conditions GRUENENTHAL GMBH (DE) 2011-07-28 US disclosed
US-20080262039-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process For Making Them, and Use Thereof For Treating Pain and Other Conditions GRUENENTHAL GMBH (DE) 2008-10-23 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 (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-20080262039-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process For Making Them, and Use Thereof For Treating Pain and Other Conditions TRPV1, TRPV2, TRPV3 ACLY 2205/4885LMNA 3002/4885THRB 982/4885
US-20110184020-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process For Making Them, and Use Thereof For Treating Pain and Other Conditions TRPV1, TRPV2, TRPV3 ACLY 2205/4885LMNA 3002/4885THRB 982/4885

“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.