SCHEMBL1097330

SCHEMBL1097330

CC(=O)OC[C@H]1O[C@@H](n2c(-c3ccccc3)nc3c(N)ncnc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.58
SIRT1 Q96EB6 1/20 0.58
HSD17B10 Q99714 1/20 0.58
GAPDH P04406 1/20 0.58
NADK O95544 1/20 0.56
TRPM2 O94759 5/20 0.53
GALR3 O60755 1/20 0.51
ALDH1A1 P00352 2/20 0.49
PRKAB2 O43741 1/20 0.47
PRKAG1 P54619 1/20 0.47
PRKAA2 P54646 1/20 0.47
PRKAA1 Q13131 1/20 0.47
PRKAG3 Q9UGI9 1/20 0.47
PRKAG2 Q9UGJ0 1/20 0.47
PRKAB1 Q9Y478 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ADORA3 P0DMS8 3/20 0.46

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
SCHEMBL1097331 1.00 SIRT2 (0.58) SIRT2SIRT1HSD17B10GAPDHNADK
SCHEMBL1097068 0.89 ALDH1A1 (0.47) SIRT2SIRT1HSD17B10GAPDHNADK
SCHEMBL1097069 0.89 ALDH1A1 (0.47) SIRT2SIRT1HSD17B10GAPDHNADK
SCHEMBL14034299 0.88 ALDH1A1 (0.54) ALDH1A1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7258766 0.88 SIRT2 (0.53) SIRT2SIRT1HSD17B10GAPDHNADK
SCHEMBL1097985 0.87 ADORA3 (0.50) SIRT2SIRT1HSD17B10GAPDHNADK
SCHEMBL1097987 0.87 ADORA3 (0.50) SIRT2SIRT1HSD17B10GAPDHNADK
SCHEMBL1097798 0.86 GAPDH (0.60) SIRT2SIRT1HSD17B10GAPDHNADK
SCHEMBL1097796 0.86 GAPDH (0.60) SIRT2SIRT1HSD17B10GAPDHNADK
SCHEMBL1098016 0.86 PRKAB2 (0.46) SIRT2SIRT1HSD17B10GAPDHNADK

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
EP-1765844-B1 PURINE NUCLEOTIDE DERIVATIVES SOLVELL AS (NO) 2014-07-30 EP disclosed
US-8153609-B2 Purine nucleotide derivatives LAURAS AS (NO) 2012-04-10 US disclosed
US-20080293665-A1 Purine Nucleotide Derivatives LAURAS AS (NO) 2008-11-27 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-20080293665-A1 Purine Nucleotide Derivatives CGAS, PDE8A, PDE7A SIRT2 2643/4885SIRT1 2154/4885HSD17B10 4521/4885

“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.