SCHEMBL14217396

SCHEMBL14217396

CC[C@@H]1CC[C@H](n2cc(CBr)c(=O)[nH]c2=O)O1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TK1 P04183 3/20 0.44
TK2 O00142 1/20 0.44
BCHE P06276 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALB P02768 1/20 0.37
PKM P14618 1/20 0.37
LMNA P02545 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
TSHR P16473 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
SCHEMBL13366956 0.87 TK1 (0.46) TK1TK2ALDH1A1SMN1; SMN2ALB
SCHEMBL16552337 0.84 TK1 (0.54) TK1BCHEALDH1A1POLBALB
SCHEMBL13019211 0.84 TK1 (0.54) TK1BCHEALDH1A1POLBALB
SCHEMBL14217401 0.81 TK1 (0.40) TK1TK2BCHEALDH1A1POLB
SCHEMBL12373095 0.81 TOP2A (0.47) TK1TK2BCHE
SCHEMBL9780924 0.81 TK1 (0.45) TK1TK2BCHE
SCHEMBL9780986 0.81 TK1 (0.53) TK1TK2ALDH1A1POLBALB
SCHEMBL2035886 0.81 TK1 (0.53) TK1TK2ALDH1A1POLBALB
SCHEMBL9780930 0.81 TK1 (0.45) TK1TK2BCHE
SCHEMBL2278653 0.79 BCHE (0.41) TK1TK2BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835625-B2 Propargyl substituted nucleoside compounds and methods APPLIED BIOSYSTEMS, LLC (US) 2014-09-16 US disclosed
US-20120309953-A1 Propargyl Substituted Nucleoside Compounds and Methods Life Technologies Corporation (US) 2012-12-06 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-20120309953-A1 Propargyl Substituted Nucleoside Compounds and Methods PNP, NUDT1, DUT TK1 85/4885TK2 112/4885BCHE 1664/4885

“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.