SCHEMBL1097068

SCHEMBL1097068

CC(=O)OC[C@H]1O[C@@H](n2c(-c3ccoc3)nc3c(N)ncnc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
SIRT2 Q8IXJ6 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
LMNA P02545 2/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HSD17B10 Q99714 1/20 0.45
GAPDH P04406 1/20 0.45
TRPM2 O94759 5/20 0.44
PRKAB2 O43741 1/20 0.43
PRKAG1 P54619 1/20 0.43
PRKAA2 P54646 1/20 0.43
PRKAA1 Q13131 1/20 0.43
PRKAG3 Q9UGI9 1/20 0.43
PRKAG2 Q9UGJ0 1/20 0.43
PRKAB1 Q9Y478 1/20 0.43
NADK O95544 1/20 0.43
GALR3 O60755 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL1097069 1.00 ALDH1A1 (0.47) ALDH1A1SIRT2SIRT1LMNATP53
SCHEMBL1097331 0.89 SIRT2 (0.58) ALDH1A1SIRT2SIRT1LMNATP53
SCHEMBL1097330 0.89 SIRT2 (0.58) ALDH1A1SIRT2SIRT1LMNATP53
SCHEMBL14034299 0.86 ALDH1A1 (0.54) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL1097985 0.85 ADORA3 (0.50) ALDH1A1SIRT2SIRT1LMNATP53
SCHEMBL1097987 0.85 ADORA3 (0.50) ALDH1A1SIRT2SIRT1LMNATP53
SCHEMBL31685464 0.84 ALDH1A1 (0.54) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL1097798 0.83 GAPDH (0.60) ALDH1A1SIRT2SIRT1LMNATP53
SCHEMBL1098016 0.83 PRKAB2 (0.46) ALDH1A1SIRT2SIRT1LMNATP53
SCHEMBL1097796 0.83 GAPDH (0.60) ALDH1A1SIRT2SIRT1LMNATP53

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 5 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
EP-1765844-A2 PURINE NUCLEOTIDE DERIVATIVES Lauras AS (NO) 2007-03-28 EP disclosed
WO-2005123755-A2 PURINE NUCLEOTIDE DERIVATIVES LAURAS AS (NO) 2005-12-29 WO 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 ALDH1A1 3225/4885SIRT2 2643/4885SIRT1 2154/4885

“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.