SCHEMBL14217401

SCHEMBL14217401

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TK1 P04183 6/20 0.40
TK2 O00142 1/20 0.40
BCHE P06276 1/20 0.36
LMNA P02545 1/20 0.34
ESR1 P03372 1/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALB P02768 1/20 0.34
PKM P14618 1/20 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
SCHEMBL14238796 0.89 TK1 (0.42) TK1TK2LMNAALDH1A1SMN1; SMN2
SCHEMBL14217398 0.87 TK1 (0.36) TK1TK2BCHE
SCHEMBL14217403 0.81 TERT (0.35) TK1TK2
SCHEMBL14217396 0.81 TK1 (0.44) TK1TK2BCHELMNAALDH1A1
SCHEMBL9780930 0.80 TK1 (0.45) TK1TK2BCHE
SCHEMBL9780924 0.80 TK1 (0.45) TK1TK2BCHE
SCHEMBL13019211 0.78 TK1 (0.54) TK1BCHELMNAALDH1A1POLB
SCHEMBL16552337 0.78 TK1 (0.54) TK1BCHELMNAALDH1A1POLB
SCHEMBL10522597 0.77 TK1 (0.56) TK1TK2BCHELMNAALB
SCHEMBL10522602 0.77 TK1 (0.56) TK1TK2BCHELMNAALB

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.