SCHEMBL14565243

SCHEMBL14565243

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

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TK2 O00142 2/20 0.55
TYMP P19971 5/20 0.47
TK1 P04183 2/20 0.47
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
ALB P02768 1/20 0.45
POLB P06746 1/20 0.45
ADRA1A P35348 1/20 0.45
BLM P54132 1/20 0.45

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
SCHEMBL25504793 0.86 TK2 (0.58) TK2TYMPTK1ALDH1A1LMNA
SCHEMBL19224116 0.86 TK2 (0.58) TK2TYMPTK1ALDH1A1LMNA
SCHEMBL9650588 0.85 TK2 (0.55) TK2TYMPALDH1A1LMNAALB
SCHEMBL2585241 0.85 TK2 (0.55) TK2TYMPALDH1A1LMNAALB
SCHEMBL18750458 0.83 TK2 (0.56) TK2TYMPTK1ALDH1A1LMNA
SCHEMBL16940274 0.83 TK2 (0.55) TK2TYMPTK1ALDH1A1LMNA
SCHEMBL15434595 0.83 TK2 (0.55) TK2TYMPTK1ALDH1A1LMNA
SCHEMBL16923193 0.82 PYGM (0.56) TK2TYMPALDH1A1LMNAALB
SCHEMBL10226146 0.82 PYGM (0.56) TK2TYMPALDH1A1LMNAALB
SCHEMBL18750451 0.82 TK2 (0.54) TK2TYMPTK1ALDH1A1LMNA

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-20070065922-A1 Biocatalytic synthesis of aminodeoxy purine N9-beta-D-nucleosides containing 3-amino-3-deoxy-beta-D-ribofuranose, 3-amino-2,3-dideoxy-beta-D-ribofuranose, and 2-amino-2-deoxy-beta-D-ribofuranose as sugar moieties METKINEN OY (FI) 2007-03-22 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-20070065922-A1 Biocatalytic synthesis of aminodeoxy purine N9-beta-D-nucleosides containing 3-amino-3-deoxy-beta-D-ribofuranose, 3-amino-2,3-dideoxy-beta-D-ribofuranose, and 2-amino-2-deoxy-beta-D-ribofuranose as sugar moieties DUT, UNG, GALE TK2 171/4885TYMP 5/4885TK1 71/4885

“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.