SCHEMBL1098546

SCHEMBL1098546

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

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAPDH P04406 2/20 0.55
HSD17B10 Q99714 1/20 0.55
NADK O95544 1/20 0.54
SIRT2 Q8IXJ6 1/20 0.53
SIRT1 Q96EB6 1/20 0.53
TRPM2 O94759 5/20 0.49
ADORA1 P30542 5/20 0.44
ADORA3 P0DMS8 3/20 0.44
ADORA2A P29274 3/20 0.44
ADORA2B P29275 3/20 0.44
PI4KA P42356 2/20 0.43
PI4K2B Q8TCG2 2/20 0.43
PI4K2A Q9BTU6 2/20 0.43
PI4KB Q9UBF8 2/20 0.43
HSPA5 P11021 1/20 0.42
SLC28A2 O43868 3/20 0.40

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
SCHEMBL1097695 0.92 GAPDH (0.46) GAPDHHSD17B10NADKSIRT2SIRT1
SCHEMBL1098133 0.91 GAPDH (0.45) GAPDHHSD17B10NADKSIRT2SIRT1
SCHEMBL1096847 0.88 TRPM2 (0.52) GAPDHHSD17B10NADKSIRT2SIRT1
SCHEMBL1135253 0.88 AMD1 (0.49) HSD17B10HSPA5
SCHEMBL1096911 0.88 AMD1 (0.49) HSD17B10HSPA5
SCHEMBL1096954 0.87 ADORA3 (0.48) GAPDHHSD17B10NADKSIRT2SIRT1
SCHEMBL7258766 0.86 SIRT2 (0.53) GAPDHHSD17B10NADKSIRT2SIRT1
SCHEMBL1096598 0.84 NADK (0.50) NADKADORA1ADORA3ADORA2AADORA2B
SCHEMBL1106678 0.84 NADK (0.50) NADKADORA1ADORA3ADORA2AADORA2B
SCHEMBL7254210 0.81 TRPM2 (0.47) GAPDHHSD17B10NADKSIRT2SIRT1

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 1967/4885HSD17B10 4521/4885NADK 301/4885

“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.