SCHEMBL110873

SCHEMBL110873

COC(=O)CCNCCC(=O)OC.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(N)(=O)O)[C@@H](O)[C@H]1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 7/20 0.70
P2RY2 P41231 3/20 0.70
SRC P12931 2/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
TRPM2 O94759 2/20 0.70
TAS1R3 Q7RTX0 2/20 0.70
TAS1R1 Q7RTX1 2/20 0.70
DNPH1 O43598 1/20 0.70
PRKAB2 O43741 1/20 0.70
LDHA P00338 1/20 0.70
ADRB2 P07550 1/20 0.70
FBP1 P09467 1/20 0.70
ADORA1 P30542 1/20 0.70
PRKAG1 P54619 1/20 0.70
PRKAA2 P54646 1/20 0.70
PDE4D Q08499 1/20 0.70
KCNH2 Q12809 1/20 0.70
PRKAA1 Q13131 1/20 0.70
PDE3A Q14432 1/20 0.70
P2RY11 Q96G91 1/20 0.70

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
SCHEMBL110130 0.93 P2RY1 (0.67) P2RY1P2RY2SRCSMN1; SMN2TRPM2
SCHEMBL110996 0.92 P2RY1 (0.71) P2RY1P2RY2SRCSMN1; SMN2TRPM2
SCHEMBL1835414 0.89 P2RY1 (0.86) P2RY1P2RY2SRCSMN1; SMN2TRPM2
SCHEMBL109725 0.87 P2RY1 (0.68) P2RY1P2RY2SRCSMN1; SMN2TRPM2
SCHEMBL109802 0.85 POLB (0.65) P2RY1P2RY2SRCSMN1; SMN2TRPM2
SCHEMBL13869231 0.84 PRKACA (0.69) P2RY1P2RY2SRCSMN1; SMN2TRPM2
SCHEMBL109112 0.84 NT5E (0.68) TAS1R3TAS1R1NT5E
SCHEMBL24402565 0.83 P2RY1 (0.85) P2RY1P2RY2SRCSMN1; SMN2TRPM2
SCHEMBL10073564 0.83 P2RY1 (0.85) P2RY1P2RY2SRCSMN1; SMN2TRPM2
SCHEMBL11643962 0.83 P2RY1 (0.85) P2RY1P2RY2SRCSMN1; SMN2TRPM2

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 P2RY1 519/4885P2RY2 1050/4885SRC 3571/4885

“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.