SCHEMBL800406

SCHEMBL800406

C[C@H](OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@@H](O)[C@@H]1O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLG P54098 2/20 0.55
NT5E P21589 1/20 0.55
P2RY2 P41231 7/20 0.52
LMNA P02545 1/20 0.48
THRB P10828 1/20 0.48
MTOR P42345 1/20 0.48
MDM2 Q00987 1/20 0.48
NCOA1 Q15788 1/20 0.48
NCOA3 Q9Y6Q9 1/20 0.48
P2RY4 P51582 3/20 0.48
P2RY6 Q15077 3/20 0.48
ST6GAL1 P15907 1/20 0.46
TSHR P16473 1/20 0.46
GLA P06280 1/20 0.46

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
SCHEMBL13173263 1.00 POLG (0.55) POLGNT5EP2RY2LMNATHRB
SCHEMBL800855 1.00 POLG (0.55) POLGNT5EP2RY2LMNATHRB
SCHEMBL1274372 1.00 POLG (0.55) POLGNT5EP2RY2LMNATHRB
SCHEMBL800670 1.00 POLG (0.55) POLGNT5EP2RY2LMNATHRB
SCHEMBL380557 0.90 NT5E (0.60) NT5EP2RY2LMNATHRBMTOR
SCHEMBL1763028 0.89 NT5E (0.58) POLGNT5EP2RY2LMNATHRB
SCHEMBL6672414 0.89 POLG (0.56) POLGNT5EP2RY2LMNATHRB
SCHEMBL3414689 0.89 NT5E (0.58) POLGNT5EP2RY2LMNATHRB
SCHEMBL30381145 0.89 POLG (0.54) POLGNT5EP2RY2LMNATHRB
Ammonia Solution, Strong SCHEMBL1763145 0.89 NT5E (0.57) POLGNT5EP2RY2LMNATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012040126-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-29 WO disclosed
US-20120070411-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-22 US disclosed
US-20120070411-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-22 US disclosed
US-20100249068-A1 SUBSTITUTED NUCLEOSIDE AND NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2010-09-30 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 (2 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 POLG 325/4885NT5E 15/4885P2RY2 101/4885
US-20100249068-A1 SUBSTITUTED NUCLEOSIDE AND NUCLEOTIDE ANALOGS PNP, TYMP, NTPCR POLG 278/4885NT5E 19/4885P2RY2 103/4885

“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.