SCHEMBL112954

SCHEMBL112954

CCOC(=O)CNCC(=O)OCC.Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(N)(=O)O)O1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.63
P2RY1 P47900 4/20 0.60
ENPP1 P22413 3/20 0.60
DTYMK P23919 4/20 0.52
SRC P12931 2/20 0.50
P2RY2 P41231 2/20 0.50
DNPH1 O43598 1/20 0.50
PRKAB2 O43741 1/20 0.50
TRPM2 O94759 1/20 0.50
LDHA P00338 1/20 0.50
ADRB2 P07550 1/20 0.50
FBP1 P09467 1/20 0.50
ADORA1 P30542 1/20 0.50
PRKAG1 P54619 1/20 0.50
PRKAA2 P54646 1/20 0.50
PDE4D Q08499 1/20 0.50
KCNH2 Q12809 1/20 0.50
PRKAA1 Q13131 1/20 0.50
PDE3A Q14432 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL2693792 0.93 POLB (0.62) POLBP2RY1ENPP1DTYMKSRC
SCHEMBL110526 0.93 POLB (0.66) POLBP2RY1ENPP1DTYMKSRC
SCHEMBL12537843 0.89 POLB (0.55) POLBP2RY1ENPP1DTYMKSRC
SCHEMBL109802 0.87 POLB (0.65) POLBP2RY1ENPP1DTYMKSRC
SCHEMBL109725 0.86 P2RY1 (0.68) P2RY1ENPP1SRCP2RY2DNPH1
SCHEMBL112103 0.85 POLB (0.65) POLBP2RY2TAS1R3TAS1R1NT5E
SCHEMBL1979086 0.85 POLB (0.54) POLBP2RY1ENPP1SRCP2RY2
SCHEMBL4546151 0.83 POLB (0.81) POLBP2RY1ENPP1SRCP2RY2
SCHEMBL543475 0.83 POLB (0.81) POLBP2RY1ENPP1SRCP2RY2
SCHEMBL7882477 0.83 POLB (0.81) POLBP2RY1ENPP1SRCP2RY2

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 6/4885P2RY1 519/4885ENPP1 46/4885

“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.