SCHEMBL1789131

SCHEMBL1789131

C#CCOP(N)(=O)OCC#C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.39
CA12 O43570 3/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA4 P22748 3/20 0.33
CA5A P35218 3/20 0.33
CA7 P43166 3/20 0.33
CA9 Q16790 3/20 0.33
CA5B Q9Y2D0 3/20 0.33
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 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
SCHEMBL10935171 0.83
SCHEMBL1789133 0.79
SCHEMBL6424273 0.77 ACHE (0.42) ACHECA12CA1CA2CA4
SCHEMBL23671129 0.72
SCHEMBL8340924 0.72 ACHE (0.44) ACHE
SCHEMBL19348595 0.72 ACHE (0.39) ACHE
SCHEMBL777833 0.72 ACHE (0.59) ACHE
SCHEMBL6423255 0.72 ACHE (0.39) ACHESLC1A3SLC1A2SLC1A1
SCHEMBL16450268 0.72
SCHEMBL19348615 0.72 ACHE (0.39) ACHE

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-8183355-B2 Method for the synthesis of oligonucleotide derivatives CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2012-05-22 US disclosed
US-20110245478-A1 Method for the Synthesis of Oligonucleotide Derivatives CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) 2011-10-06 US disclosed
US-7951926-B2 Method for the synthesis of oligonucleotide derivatives CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2011-05-31 US disclosed
US-20090142849-A1 Stable Oxygen Isotope Labeling of Pre-existing Phosphoryl Groups on Phosphomolecules for Modification-Specific Mass Spectrometry UNIVERSITY OF CONNECTICUT (US) 2009-06-04 US disclosed
US-20090124571-A1 METHOD FOR THE SYNTHESIS OF OLIGONUCLEOTIDE DERIVATIVES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2009-05-14 US disclosed
EP-2021351-A2 METHOD FOR THE SYNTHESIS OF TRIAZOLE-CONTAINING OLIGONUCLEOTIDE DERIVATIVES Centre National de la Recherche Scientifique (FR) 2009-02-11 EP disclosed
WO-2007125429-A2 METHOD FOR THE SYNTHESIS OF TRIAZOLE- CONTAINING OLIGONUCLEOTIDE DERIVATIVES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2007-11-08 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-20090124571-A1 METHOD FOR THE SYNTHESIS OF OLIGONUCLEOTIDE DERIVATIVES MSN, RNGTT, DCLRE1B ACHE 4098/4885CA12 4381/4885CA1 4769/4885
US-20110245478-A1 Method for the Synthesis of Oligonucleotide Derivatives MSN, RNGTT, DCLRE1B ACHE 4098/4885CA12 4381/4885CA1 4769/4885

“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.