SCHEMBL13976552

SCHEMBL13976552

CC[C@@]12COC([C@H](n3cc(I)c(=O)[nH]c3=O)O1)[C@H]2O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PYGM P11217 1/20 0.46
TK1 P04183 3/20 0.43
P2RY6 Q15077 5/20 0.39
P2RY14 Q15391 3/20 0.39
TSHR P16473 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
PMP22 Q01453 1/20 0.34
HBB P68871 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BCHE P06276 2/20 0.34

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
SCHEMBL16307200 1.00 PYGM (0.46) PYGMTK1P2RY6P2RY14TSHR
SCHEMBL13976532 1.00 PYGM (0.46) PYGMTK1P2RY6P2RY14TSHR
SCHEMBL12840822 0.90 PYGM (0.50) PYGMTK1P2RY6P2RY14BCHE
SCHEMBL16307368 0.90 PYGM (0.50) PYGMTK1P2RY6P2RY14BCHE
SCHEMBL13978280 0.90 PYGM (0.50) PYGMTK1P2RY6P2RY14BCHE
SCHEMBL24359129 0.90 PYGM (0.50) PYGMTK1P2RY6P2RY14BCHE
SCHEMBL13976551 0.90 PYGM (0.50) PYGMTK1P2RY6P2RY14BCHE
SCHEMBL13976530 0.90 PYGM (0.50) PYGMTK1P2RY6P2RY14BCHE
SCHEMBL16307197 0.90 PYGM (0.50) PYGMTK1P2RY6P2RY14BCHE
SCHEMBL14702153 0.89 PYGM (0.41) PYGMTK1P2RY6P2RY14TSHR

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-8912318-B2 Nucleobase-functionalized conformationally restricted nucleotides and oligonucleotides for targeting nucleic acids UNIVERSITY OF IDAHO (US) 2014-12-16 US disclosed
US-8518908-B2 Nucleobase-functionalized conformationally restricted nucleotides and oligonucleotides for targeting of nucleic acids UNIVERSITY OF IDAHO (US) 2013-08-27 US disclosed
US-20120295862-A1 NUCLEOBASE-FUNCTIONALIZED CONFORMATIONALLY RESTRICTED NUCLEOTIDES AND OLIGONUCLEOTIDES FOR TARGETING OF NUCLEIC ACIDS The Univeristy of Idaho 2012-11-22 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 (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-20120295862-A1 NUCLEOBASE-FUNCTIONALIZED CONFORMATIONALLY RESTRICTED NUCLEOTIDES AND OLIGONUCLEOTIDES FOR TARGETING OF NUCLEIC ACIDS NT5C3B, UNG, NT5C2 PYGM 3680/4885TK1 240/4885P2RY6 690/4885

“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.