SCHEMBL2583462

SCHEMBL2583462

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

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DNPH1 O43598 1/20 0.47
PYGM P11217 3/20 0.45
TK2 O00142 7/20 0.45
TK1 P04183 1/20 0.40
TYMP P19971 2/20 0.39
SLC28A1 O00337 1/20 0.38
SLC28A2 O43868 1/20 0.38
SLC29A1 Q99808 1/20 0.38
SLC28A3 Q9HAS3 1/20 0.38

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
SCHEMBL2580564 0.89 DNPH1 (0.51) DNPH1PYGMTK2TK1TYMP
SCHEMBL2577692 0.86 TK2 (0.55) DNPH1PYGMTK2TK1TYMP
SCHEMBL2580903 0.86 TK2 (0.53) DNPH1PYGMTK2
SCHEMBL2585241 0.84 TK2 (0.55) PYGMTK2TYMP
SCHEMBL9650588 0.84 TK2 (0.55) PYGMTK2TYMP
SCHEMBL45507 0.83 PYGM (0.63) DNPH1PYGMTK2TK1SLC28A1
SCHEMBL45508 0.83 PYGM (0.63) DNPH1PYGMTK2TK1SLC28A1
SCHEMBL2577629 0.83 PYGM (0.63) DNPH1PYGMTK2TK1SLC28A1
SCHEMBL2581470 0.83 TK2 (0.46) DNPH1PYGMTK2
SCHEMBL2584477 0.83 PYGM (0.67) DNPH1PYGMTK2TYMPSLC28A1

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-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 DNPH1 1915/4885PYGM 89/4885TK2 149/4885
US-20110269707-A1 Modified nucleosides for the treatment of viral infections and abnormal cellullar proliferation PNP, ALPP, XDH DNPH1 1460/4885PYGM 4/4885TK2 261/4885
US-10100076-B2 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, SLC29A2, PNP DNPH1 2771/4885PYGM 99/4885TK2 159/4885
US-20030087873-A1 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, PNP, SLC29A2 DNPH1 2160/4885PYGM 72/4885TK2 190/4885

“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.