SCHEMBL31108455

SCHEMBL31108455

O=c1[nH]c(NC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)nc2nc[nH]c12

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GDA Q9Y2T3 1/20 0.47
▸ GSK3B P49841 1/20 0.45
▸ XDH P47989 3/20 0.45
▸ POLA1 P09884 1/20 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
SCHEMBL28631534 0.99 GDA (0.48) GDAGSK3BXDHPOLA1
SCHEMBL28542110 0.99 GDA (0.48) GDAGSK3BXDHPOLA1
SCHEMBL29022774 0.99 GDA (0.48) GDAGSK3BXDHPOLA1
SCHEMBL31083063 0.78 GSK3B (0.45) GSK3B
SCHEMBL27820217 0.78 GDA (0.47) GDAXDHPOLA1
SCHEMBL3877450 0.77 ADK (0.43) GSK3B
SCHEMBL2873813 0.77 ADK (0.43) GSK3B
SCHEMBL30697964 0.77 KDM4E (0.46) GDA
SCHEMBL28343030 0.77 KDM4E (0.46) GDA
Guanine SCHEMBL4359248 0.76 PNP (0.62) GDA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240358735-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-10-31 — — 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-20240358735-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS MAG, PMP22, B3GAT3 GDA 1189/4885GSK3B 574/4885XDH 1139/4885

“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.

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