SCHEMBL111901

SCHEMBL111901

COC(=O)CNCC(=O)OC.Nc1ccn([C@H]2C[C@H](O)[C@@H](COP(N)(=O)O)O2)c(=O)n1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.64
P2RY2 P41231 3/20 0.54
P2RY4 P51582 3/20 0.54
P2RY6 Q15077 2/20 0.54
POLA1 P09884 1/20 0.47
NT5E P21589 1/20 0.46
POLG P54098 1/20 0.45
DUT P33316 1/20 0.43
ST6GAL1 P15907 1/20 0.42

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
SCHEMBL111695 0.93 POLB (0.61) POLBP2RY2P2RY4P2RY6POLA1
SCHEMBL110925 0.92 POLB (0.63) POLBP2RY2P2RY4P2RY6POLA1
SCHEMBL111725 0.87 POLB (0.61) POLBP2RY2P2RY4P2RY6POLA1
SCHEMBL110081 0.84 P2RY2 (0.58) P2RY2P2RY4P2RY6ST6GAL1
SCHEMBL23751346 0.84 POLB (0.80) POLBP2RY2P2RY4P2RY6NT5E
SCHEMBL12595477 0.84 POLB (0.80) POLBP2RY2P2RY4P2RY6NT5E
SCHEMBL18784963 0.84 POLB (0.80) POLBP2RY2P2RY4P2RY6NT5E
SCHEMBL12940502 0.84 POLB (0.80) POLBP2RY2P2RY4P2RY6NT5E
SCHEMBL1971070 0.84 POLB (0.80) POLBP2RY2P2RY4P2RY6NT5E
SCHEMBL48317 0.84 POLB (0.80) POLBP2RY2P2RY4P2RY6NT5E

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
US-20120108533-A1 NOVEL PHOSPHATE MODIFIED NUCLEOSIDES USEFUL AS SUBSTRATES FOR POLYMERASES AND AS ANTIVIRAL AGENTS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2012-05-03 US disclosed
EP-2424874-A1 NOVEL PHOSPHATE MODIFIED NUCLEOSIDES USEFUL AS SUBSTRATES FOR POLYMERASES AND AS ANTIVIRAL ANGENTS Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2012-03-07 EP disclosed
WO-2010125200-A1 NOVEL PHOSPHATE MODIFIED NUCLEOSIDES USEFUL AS SUBSTRATES FOR POLYMERASES AND AS ANTIVIRAL ANGENTS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2010-11-04 WO 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-20120108533-A1 NOVEL PHOSPHATE MODIFIED NUCLEOSIDES USEFUL AS SUBSTRATES FOR POLYMERASES AND AS ANTIVIRAL AGENTS PNP, TYMP, MTAP POLB 6/4885P2RY2 1050/4885P2RY4 989/4885

“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.