SCHEMBL2583393

SCHEMBL2583393

O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@H](Br)[C@H]2O)cc1Br

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PYGM P11217 3/20 0.79
TK2 O00142 2/20 0.56
P2RY6 Q15077 3/20 0.49
P2RY2 P41231 3/20 0.49
P2RY4 P51582 1/20 0.49
SLC28A1 O00337 1/20 0.48
SLC28A2 O43868 1/20 0.48
SLC29A1 Q99808 1/20 0.48
SLC28A3 Q9HAS3 1/20 0.48
DNPH1 O43598 1/20 0.45
TK1 P04183 1/20 0.43

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
SCHEMBL10887951 0.90 PYGM (0.79) PYGMTK2P2RY6P2RY2P2RY4
SCHEMBL10887944 0.90 PYGM (0.79) PYGMTK2P2RY6P2RY2P2RY4
SCHEMBL309063 0.90 PYGM (0.97) PYGMTK2P2RY6P2RY2P2RY4
SCHEMBL2579064 0.90 PYGM (0.97) PYGMTK2P2RY6P2RY2P2RY4
SCHEMBL41201 0.90 PYGM (0.97) PYGMTK2P2RY6P2RY2P2RY4
SCHEMBL654693 0.90 PYGM (0.97) PYGMTK2P2RY6P2RY2P2RY4
SCHEMBL6758925 0.90 PYGM (0.97) PYGMTK2P2RY6P2RY2P2RY4
SCHEMBL12143148 0.90 PYGM (0.97) PYGMTK2P2RY6P2RY2P2RY4
SCHEMBL158910 0.90 PYGM (0.97) PYGMTK2P2RY6P2RY2P2RY4
SCHEMBL15810788 0.90 PYGM (0.97) PYGMTK2P2RY6P2RY2P2RY4

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 8 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
US-20030087873-A1 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation PHARMASSET, INC. 2003-05-08 US 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 (4 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
US-20030087873-A1 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, PNP, SLC29A2 PYGM 72/4885TK2 190/4885P2RY6 269/4885

“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.