SCHEMBL800705

SCHEMBL800705

CC(C)OC(=O)[C@H](C)NP(=O)(Oc1ccccc1)O[C@@H](C)[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.48
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45
ST6GAL1 P15907 9/20 0.45
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.40
MTOR P42345 1/20 0.40
MDM2 Q00987 1/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 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
SCHEMBL16300874 1.00 NT5E (0.48) NT5ECYP3A4CYP2C9ST6GAL1LMNA
SCHEMBL16300865 0.94 NT5E (0.49) NT5EST6GAL1LMNATHRBMTOR
SCHEMBL800261 0.94 NT5E (0.49) NT5EST6GAL1LMNATHRBMTOR
SCHEMBL800834 0.94 NT5E (0.49) NT5EST6GAL1LMNATHRBMTOR
SCHEMBL800358 0.94 NT5E (0.49) NT5EST6GAL1LMNATHRBMTOR
SCHEMBL800264 0.94 NT5E (0.49) NT5EST6GAL1LMNATHRBMTOR
SCHEMBL800130 0.94 NT5E (0.49) NT5EST6GAL1LMNATHRBMTOR
SCHEMBL13134726 0.94 NT5E (0.49) NT5EST6GAL1LMNATHRBMTOR
SCHEMBL800760 0.94 NT5E (0.49) NT5EST6GAL1LMNATHRBMTOR
SCHEMBL16300847 0.93 CYP3A4 (0.43) NT5ECYP3A4CYP2C9ST6GAL1

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-20120070411-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-22 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-20120070411-A1 SUBSTITUTED NUCLEOTIDE ANALOGS PNP, NTPCR, NUDT1 NT5E 15/4885CYP3A4 3278/4885CYP2C9 3385/4885

“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.