SCHEMBL1096847

SCHEMBL1096847

CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2c(-c3ccsc3)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 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPM2 O94759 5/20 0.52
GAPDH P04406 2/20 0.42
HSD17B10 Q99714 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
NADK O95544 1/20 0.41
AMD1 P17707 3/20 0.36
HSPA5 P11021 4/20 0.35
HSPA8 P11142 2/20 0.35
RXFP1 Q9HBX9 1/20 0.34

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 0.89 GAPDH (0.46) TRPM2GAPDHHSD17B10SIRT2SIRT1
SCHEMBL1098546 0.88 GAPDH (0.55) TRPM2GAPDHHSD17B10SIRT2SIRT1
SCHEMBL1135253 0.85 AMD1 (0.49) HSD17B10AMD1HSPA5HSPA8RXFP1
SCHEMBL1096911 0.85 AMD1 (0.49) HSD17B10AMD1HSPA5HSPA8RXFP1
SCHEMBL1098133 0.85 GAPDH (0.45) TRPM2GAPDHHSD17B10SIRT2SIRT1
SCHEMBL1096954 0.83 ADORA3 (0.48) TRPM2GAPDHHSD17B10SIRT2SIRT1
SCHEMBL1106678 0.82 NADK (0.50) NADKAMD1HSPA5HSPA8RXFP1
SCHEMBL1096598 0.82 NADK (0.50) NADKAMD1HSPA5HSPA8RXFP1
SCHEMBL14030554 0.77 RAPGEF3 (0.45) TRPM2
SCHEMBL1106660 0.77 RAPGEF3 (0.45) TRPM2

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 TRPM2 3198/4885GAPDH 1967/4885HSD17B10 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.