SCHEMBL2587708

SCHEMBL2587708

O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)cc1/C=C/I

nearest known ligand 0.83

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TK2 O00142 7/20 0.83
PYGM P11217 3/20 0.67
P2RY2 P41231 1/20 0.54
SLC28A1 O00337 1/20 0.54
SLC28A2 O43868 1/20 0.54
SLC29A1 Q99808 1/20 0.54
SLC28A3 Q9HAS3 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
TSHR P16473 1/20 0.54
TK1 P04183 1/20 0.54
BLM P54132 1/20 0.54
PMP22 Q01453 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54

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
SCHEMBL5175300 1.00 TK2 (0.83) TK2PYGMP2RY2SLC28A1SLC28A2
SCHEMBL2587710 1.00 TK2 (0.83) TK2PYGMP2RY2SLC28A1SLC28A2
SCHEMBL1628082 1.00 TK2 (0.83) TK2PYGMP2RY2SLC28A1SLC28A2
SCHEMBL6528897 1.00 TK2 (0.83) TK2PYGMP2RY2SLC28A1SLC28A2
SCHEMBL1628084 1.00 TK2 (0.83) TK2PYGMP2RY2SLC28A1SLC28A2
SCHEMBL2585320 0.91 TK2 (0.69) TK2PYGMP2RY2SLC28A1SLC28A2
SCHEMBL2577938 0.91 TK2 (0.69) TK2PYGMCYP1A2CYP3A4TSHR
SCHEMBL2577941 0.91 TK2 (0.69) TK2PYGMCYP1A2CYP3A4TSHR
SCHEMBL2577942 0.91 TK2 (0.69) TK2PYGMCYP1A2CYP3A4TSHR
SCHEMBL2585319 0.91 TK2 (0.69) TK2PYGMP2RY2SLC28A1SLC28A2

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 TK2 149/4885PYGM 89/4885P2RY2 351/4885
US-20110269707-A1 Modified nucleosides for the treatment of viral infections and abnormal cellullar proliferation PNP, ALPP, XDH TK2 261/4885PYGM 4/4885P2RY2 492/4885
US-10100076-B2 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, SLC29A2, PNP TK2 159/4885PYGM 99/4885P2RY2 554/4885
US-20030087873-A1 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, PNP, SLC29A2 TK2 190/4885PYGM 72/4885P2RY2 427/4885

“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.