SCHEMBL2851628

SCHEMBL2851628

N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)S

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MPI P34949 1/20 0.43
PGD P52209 3/20 0.35
PGK1 P00558 1/20 0.31
PGK2 P07205 1/20 0.31
PAX8 Q06710 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
SCHEMBL20718807 0.86 MPI (0.59) MPIPGDPGK1PGK2
SCHEMBL165934 0.86 MPI (0.59) MPIPGDPGK1PGK2
SCHEMBL158926 0.86 MPI (0.59) MPIPGDPGK1PGK2
SCHEMBL19393 0.86 MPI (0.59) MPIPGDPGK1PGK2
SCHEMBL2849450 0.86 MPI (0.59) MPIPGDPGK1PGK2
SCHEMBL194342 0.83 MPI (0.55) MPIPGD
SCHEMBL2851632 0.81 MPI (0.41) MPIPGDPAX8
SCHEMBL21614 0.81 MPI (0.41) MPIPGDPAX8
SCHEMBL2851638 0.81 MPI (0.41) MPIPGDPAX8
SCHEMBL9078417 0.81 MPI (0.45) MPIPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324123-A1 GLMS RIBOSWITCHES, STRUCTURE-BASED COMPOUND DESIGN WITH GLMS RIBOSWITCHES, AND METHODS AND COMPOSITIONS FOR USE OF AND WITH GLMS RIBOSWITCHES YALE UNIVERSITY (US) 2010-12-23 US disclosed
EP-2061480-A2 GLMS RIBOSWITCHES, STRUCTURE-BASED COMPOUND DESIGN WITH GLMS RIBOSWITCHES, AND METHODS AND COMPOSITIONS FOR USE OF AND WITH GLMS RIBOSWITCHES YALE UNIVERSITY (US) 2009-05-27 EP disclosed
WO-2008076156-A2 GLMS RIBOSWITCHES, STRUCTURE-BASED COMPOUND DESIGN WITH GLMS RIBOSWITCHES, AND METHODS AND COMPOSITIONS FOR USE OF AND WITH GLMS RIBOSWITCHES YALE UNIVERSITY (US) 2008-06-26 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 (1 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-20100324123-A1 GLMS RIBOSWITCHES, STRUCTURE-BASED COMPOUND DESIGN WITH GLMS RIBOSWITCHES, AND METHODS AND COMPOSITIONS FOR USE OF AND WITH GLMS RIBOSWITCHES GLMN, RNGTT, GMPS MPI 1155/4885PGD 371/4885PGK1 647/4885

“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.