SCHEMBL2579194

SCHEMBL2579194

O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)cc1I

nearest known ligand 0.97

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PYGM P11217 3/20 0.97
TK2 O00142 2/20 0.68
P2RY6 Q15077 5/20 0.64
P2RY14 Q15391 3/20 0.64
TK1 P04183 2/20 0.62
SLC28A1 O00337 1/20 0.60
SLC28A2 O43868 1/20 0.60
SLC29A1 Q99808 1/20 0.60
SLC28A3 Q9HAS3 1/20 0.60
DNPH1 O43598 1/20 0.52
P2RY2 P41231 2/20 0.51

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
SCHEMBL18032577 1.00 PYGM (0.97) PYGMTK2P2RY6P2RY14TK1
SCHEMBL2056544 1.00 PYGM (0.97) PYGMTK2P2RY6P2RY14TK1
SCHEMBL3412420 1.00 PYGM (0.97) PYGMTK2P2RY6P2RY14TK1
SCHEMBL12315567 1.00 PYGM (0.97) PYGMTK2P2RY6P2RY14TK1
SCHEMBL3389861 1.00 PYGM (0.97) PYGMTK2P2RY6P2RY14TK1
SCHEMBL97335 1.00 PYGM (0.97) PYGMTK2P2RY6P2RY14TK1
SCHEMBL2056540 1.00 PYGM (0.97) PYGMTK2P2RY6P2RY14TK1
SCHEMBL654674 1.00 PYGM (0.97) PYGMTK2P2RY6P2RY14TK1
SCHEMBL97336 1.00 PYGM (0.97) PYGMTK2P2RY6P2RY14TK1
SCHEMBL5165189 1.00 PYGM (0.97) PYGMTK2P2RY6P2RY14TK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10100076-B2 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation GILEAD PHARMASSET LLC (US) 2018-10-16 US disclosed
US-20140057863-A1 MODIFIED NUCLEOSIDES FOR THE TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION GILEAD SCIENCES, INC. (US) 2014-02-27 US disclosed
US-20110269707-A1 Modified nucleosides for the treatment of viral infections and abnormal cellullar proliferation PHARMASSET, INC. 2011-11-03 US disclosed
EP-1411954-B1 MODIFIED NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION PHARMASSET INC (US) 2010-12-15 EP disclosed
EP-2251015-A1 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation Pharmasset, Inc. (US) 2010-11-17 EP disclosed
EP-1411954-A2 MODIFIED NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION Pharmasset Limited (BB) 2004-04-28 EP disclosed
WO-2002032920-A2 MODIFIED NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION PHARMASSET LIMITED (BB) 2002-04-25 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 (3 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-20140057863-A1 MODIFIED NUCLEOSIDES FOR THE TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION SLC29A1, PNP, SLC29A2 PYGM 89/4885TK2 149/4885P2RY6 221/4885
US-20110269707-A1 Modified nucleosides for the treatment of viral infections and abnormal cellullar proliferation PNP, ALPP, XDH PYGM 4/4885TK2 261/4885P2RY6 377/4885
US-10100076-B2 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, SLC29A2, PNP PYGM 99/4885TK2 159/4885P2RY6 318/4885

“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.