SCHEMBL2577629

SCHEMBL2577629

C=CCc1cn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)[nH]c1=O

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PYGM P11217 3/20 0.63
TK2 O00142 3/20 0.61
DNPH1 O43598 1/20 0.55
SLC28A1 O00337 1/20 0.54
SLC28A2 O43868 1/20 0.54
SLC29A1 Q99808 1/20 0.54
SLC28A3 Q9HAS3 1/20 0.54
P2RY2 P41231 4/20 0.47
TK1 P04183 1/20 0.44
MAPT P10636 1/20 0.43
CDA P32320 1/20 0.43
HPGD P15428 1/20 0.43
P2RY6 Q15077 1/20 0.43
P2RY14 Q15391 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
SCHEMBL45507 1.00 PYGM (0.63) PYGMTK2DNPH1SLC28A1SLC28A2
SCHEMBL45508 1.00 PYGM (0.63) PYGMTK2DNPH1SLC28A1SLC28A2
SCHEMBL16807564 0.89 DNPH1 (0.52) PYGMTK2DNPH1P2RY2MAPT
SCHEMBL11443472 0.89 DNPH1 (0.52) PYGMTK2DNPH1SLC28A1SLC28A2
SCHEMBL15798486 0.89 PYGM (0.65) PYGMTK2DNPH1SLC28A1SLC28A2
SCHEMBL11443474 0.88 PYGM (0.52) PYGMTK2DNPH1SLC28A1SLC28A2
SCHEMBL11443473 0.88 P2RY2 (0.55) PYGMTK2DNPH1SLC28A1SLC28A2
Xylose SCHEMBL7077042 0.87 PYGM (0.50) PYGMTK2DNPH1SLC28A1SLC28A2
SCHEMBL1140108 0.87 PYGM (0.62) PYGMTK2DNPH1SLC28A1SLC28A2
SCHEMBL14853793 0.86 DNPH1 (0.71) PYGMTK2DNPH1SLC28A1SLC28A2

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 149/4885DNPH1 1915/4885
US-20110269707-A1 Modified nucleosides for the treatment of viral infections and abnormal cellullar proliferation PNP, ALPP, XDH PYGM 4/4885TK2 261/4885DNPH1 1460/4885
US-10100076-B2 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, SLC29A2, PNP PYGM 99/4885TK2 159/4885DNPH1 2771/4885
US-20030087873-A1 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, PNP, SLC29A2 PYGM 72/4885TK2 190/4885DNPH1 2160/4885

“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.