SCHEMBL13407948

SCHEMBL13407948

Cc1cn([C@@H]2CC(C)(C=O)[C@@H](CO)O2)c(=O)[nH]c1=O

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TK1 P04183 5/20 0.49
LMNA P02545 3/20 0.49
ALB P02768 2/20 0.49
BLM P54132 2/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
ADRA1A P35348 1/20 0.49
TSHR P16473 2/20 0.47
PKM P14618 1/20 0.47
PMP22 Q01453 1/20 0.47
CYP2D6 P10635 1/20 0.47

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
SCHEMBL5086587 0.87 LMNA (0.52) TK1LMNAALBBLMALDH1A1
SCHEMBL6394877 0.87 LMNA (0.52) TK1LMNAALBBLMALDH1A1
SCHEMBL14664273 0.86 LMNA (0.53) TK1LMNAALBBLMALDH1A1
SCHEMBL14664272 0.86 LMNA (0.53) TK1LMNAALBBLMALDH1A1
SCHEMBL14664299 0.86 LMNA (0.53) TK1LMNAALBBLMALDH1A1
SCHEMBL23882937 0.84 LMNA (0.51) TK1LMNAALBBLMALDH1A1
SCHEMBL13389887 0.84 LMNA (0.51) TK1LMNAALBBLMALDH1A1
SCHEMBL13390019 0.84 LMNA (0.51) TK1LMNAALBBLMALDH1A1
SCHEMBL13389809 0.84 LMNA (0.51) TK1LMNAALBBLMALDH1A1
SCHEMBL8583379 0.84 LMNA (0.51) TK1LMNAALBBLMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093737-A1 Nucleoside and Nucleotide Analogues with Quaternary Carbon Centers and Methods of Use INSTITUT DE RECHERCHES CLINIQUES DE MONTREAL (CA) 2010-04-15 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-20100093737-A1 Nucleoside and Nucleotide Analogues with Quaternary Carbon Centers and Methods of Use NUDT1, NT5C3B, NTPCR TK1 32/4885LMNA 1497/4885ALB 4828/4885

“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.