SCHEMBL17656841

SCHEMBL17656841

C[11C](=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAA50 Q9GZZ1 2/20 1.00
CHAT P28329 2/20 0.87
EP300 Q09472 3/20 0.86
KAT5 Q92993 2/20 0.86
AURKA O14965 2/20 0.86
KAT2B Q92831 1/20 0.86
CREBBP Q92793 1/20 0.76

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
SCHEMBL29761309 1.00 NAA50 (1.00) NAA50CHATEP300KAT5AURKA
SCHEMBL4356277 1.00 NAA50 (1.00) NAA50CHATEP300KAT5AURKA
SCHEMBL29518048 1.00 NAA50 (1.00) NAA50CHATEP300KAT5AURKA
SCHEMBL6086 1.00 NAA50 (1.00) NAA50CHATEP300KAT5AURKA
SCHEMBL9995362 1.00 NAA50 (1.00) NAA50CHATEP300KAT5AURKA
SCHEMBL31126614 1.00 NAA50 (1.00) NAA50CHATEP300KAT5AURKA
SCHEMBL822955 1.00 NAA50 (1.00) NAA50CHATEP300KAT5AURKA
SCHEMBL19018640 1.00 NAA50 (1.00) NAA50CHATEP300KAT5AURKA
SCHEMBL14593550 1.00 NAA50 (1.00) NAA50CHATEP300KAT5AURKA
SCHEMBL29761307 1.00 NAA50 (1.00) NAA50CHATEP300KAT5AURKA

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-20160095946-A1 LABELLED CARBOXYLIC ACIDS AND THEIR USES IN MOLECULAR IMAGING IMPERIAL INNOVATIONS LIMITED (GB) 2016-04-07 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-20160095946-A1 LABELLED CARBOXYLIC ACIDS AND THEIR USES IN MOLECULAR IMAGING PSAT1, SLC25A1, SLC16A7 NAA50 78/4885CHAT 228/4885EP300 974/4885

“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.