SCHEMBL16080959

SCHEMBL16080959

CC(C)OC(=O)[C@@H](C)N[P@@](=O)(OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@](C)(N)[C@@H]1O)Oc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.56
CYP2C9 P11712 2/20 0.56
ADORA2A P29274 1/20 0.42
P2RY12 Q9H244 4/20 0.42
P2RY1 P47900 4/20 0.42
P2RY2 P41231 3/20 0.42
AHCY P23526 1/20 0.42
DNPH1 O43598 1/20 0.42
PRKAB2 O43741 1/20 0.42
TRPM2 O94759 1/20 0.42
LDHA P00338 1/20 0.42
ADRB2 P07550 1/20 0.42
FBP1 P09467 1/20 0.42
SRC P12931 1/20 0.42
ADORA1 P30542 1/20 0.42
PRKAG1 P54619 1/20 0.42
PRKAA2 P54646 1/20 0.42
PDE4D Q08499 1/20 0.42
KCNH2 Q12809 1/20 0.42
PRKAA1 Q13131 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
SCHEMBL16080918 1.00 CYP3A4 (0.56) CYP3A4CYP2C9ADORA2AP2RY12P2RY1
SCHEMBL16080921 1.00 CYP3A4 (0.56) CYP3A4CYP2C9ADORA2AP2RY12P2RY1
SCHEMBL29325188 0.94 CYP3A4 (0.55) CYP3A4CYP2C9ADORA2AP2RY12
SCHEMBL26810500 0.94 CYP3A4 (0.55) CYP3A4CYP2C9ADORA2AP2RY12
SCHEMBL26810481 0.94 CYP3A4 (0.55) CYP3A4CYP2C9ADORA2AP2RY12
SCHEMBL29325179 0.94 CYP3A4 (0.55) CYP3A4CYP2C9ADORA2AP2RY12
SCHEMBL29323356 0.94 CYP3A4 (0.55) CYP3A4CYP2C9ADORA2AP2RY12
SCHEMBL20058622 0.93 CYP3A4 (0.55) CYP3A4CYP2C9ADORA2AP2RY12P2RY1
SCHEMBL16480604 0.93 CYP3A4 (0.55) CYP3A4CYP2C9ADORA2AP2RY12P2RY1
SCHEMBL15588446 0.93 CYP3A4 (0.55) CYP3A4CYP2C9ADORA2AP2RY12P2RY1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160113956-A1 AMINO ACID PHOSPHORAMIDATE PRONUCLEOTIDES OF 2'-CYANO, AZIDO AND AMINO NUCLEOSIDES FOR THE TREATMENT OF HCV UNIVERSITE DE MONTPELLIER (FR) 2016-04-28 US disclosed
US-20160113956-A1 AMINO ACID PHOSPHORAMIDATE PRONUCLEOTIDES OF 2'-CYANO, AZIDO AND AMINO NUCLEOSIDES FOR THE TREATMENT OF HCV UNIVERSITE DE MONTPELLIER (FR) 2016-04-28 US disclosed
WO-2014160484-A1 AMINO ACID PHOSPHORAMIDATE PRONUCLEOTIDES OF 2'-CYANO, AZIDO AND AMINO NUCLEOSIDES FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS, INC. (US) 2014-10-02 WO disclosed
US-20140271547-A1 AMINO ACID PHOSPHORAMIDATE PRONUCLEOTIDES OF 2'-CYANO, AZIDO AND AMINO NUCLEOSIDES FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS, INC. 2014-09-18 US disclosed
US-20140271547-A1 AMINO ACID PHOSPHORAMIDATE PRONUCLEOTIDES OF 2'-CYANO, AZIDO AND AMINO NUCLEOSIDES FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS, INC. 2014-09-18 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-20160113956-A1 AMINO ACID PHOSPHORAMIDATE PRONUCLEOTIDES OF 2'-CYANO, AZIDO AND AMINO NUCLEOSIDES FOR THE TREATMENT OF HCV PNP, RNGTT, NSUN2 CYP3A4 4062/4885CYP2C9 3258/4885ADORA2A 81/4885
US-20140271547-A1 AMINO ACID PHOSPHORAMIDATE PRONUCLEOTIDES OF 2'-CYANO, AZIDO AND AMINO NUCLEOSIDES FOR THE TREATMENT OF HCV PNP, RNGTT, NSUN2 CYP3A4 4062/4885CYP2C9 3258/4885ADORA2A 81/4885

“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.