SCHEMBL1097798

SCHEMBL1097798

CC(=O)OC[C@H]1O[C@@H](n2c(-c3cccs3)nc3c(N)ncnc32)C(OC(C)=O)C1OC(C)=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAPDH P04406 2/20 0.60
ALDH1A1 P00352 5/20 0.46
PRKAB2 O43741 1/20 0.45
PRKAG1 P54619 1/20 0.45
PRKAA2 P54646 1/20 0.45
PRKAA1 Q13131 1/20 0.45
PRKAG3 Q9UGI9 1/20 0.45
PRKAG2 Q9UGJ0 1/20 0.45
PRKAB1 Q9Y478 1/20 0.45
LMNA P02545 3/20 0.44
MAPT P10636 3/20 0.44
TP53 P04637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
THRB P10828 1/20 0.42
HIF1A Q16665 1/20 0.42
NADK O95544 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
SCHEMBL1097796 1.00 GAPDH (0.60) GAPDHALDH1A1PRKAB2PRKAG1PRKAA2
SCHEMBL1097330 0.86 SIRT2 (0.58) GAPDHALDH1A1PRKAB2PRKAG1PRKAA2
SCHEMBL1097331 0.86 SIRT2 (0.58) GAPDHALDH1A1PRKAB2PRKAG1PRKAA2
SCHEMBL14034299 0.85 ALDH1A1 (0.54) ALDH1A1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1097985 0.84 ADORA3 (0.50) GAPDHALDH1A1PRKAB2PRKAG1PRKAA2
SCHEMBL1097987 0.84 ADORA3 (0.50) GAPDHALDH1A1PRKAB2PRKAG1PRKAA2
SCHEMBL1098013 0.84 PRKAB2 (0.46) GAPDHALDH1A1PRKAB2PRKAG1PRKAA2
SCHEMBL1098016 0.84 PRKAB2 (0.46) GAPDHALDH1A1PRKAB2PRKAG1PRKAA2
SCHEMBL31685464 0.83 ALDH1A1 (0.54) ALDH1A1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1097069 0.83 ALDH1A1 (0.47) GAPDHALDH1A1PRKAB2PRKAG1PRKAA2

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 GAPDH 1967/4885ALDH1A1 3225/4885PRKAB2 65/4885

“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.