SCHEMBL4601745

SCHEMBL4601745

O=c1[nH]c(=O)n(C2O[C@H](CO)[C@@H](O)[C@@H]2F)cc1Br

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PYGM P11217 3/20 0.77
TK2 O00142 2/20 0.55
CDA P32320 1/20 0.47
SLC28A1 O00337 1/20 0.47
SLC28A2 O43868 1/20 0.47
SLC29A1 Q99808 1/20 0.47
SLC28A3 Q9HAS3 1/20 0.47
P2RY6 Q15077 2/20 0.46
P2RY2 P41231 1/20 0.46
P2RY4 P51582 1/20 0.46

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
SCHEMBL368853 1.00 PYGM (0.77) PYGMTK2CDASLC28A1SLC28A2
SCHEMBL12642313 1.00 PYGM (0.77) PYGMTK2CDASLC28A1SLC28A2
SCHEMBL720545 1.00 PYGM (0.77) PYGMTK2CDASLC28A1SLC28A2
SCHEMBL6820491 0.90 PYGM (0.77) PYGMTK2SLC28A1SLC28A2SLC29A1
SCHEMBL6820494 0.90 PYGM (0.77) PYGMTK2SLC28A1SLC28A2SLC29A1
SCHEMBL6820485 0.90 PYGM (0.77) PYGMTK2SLC28A1SLC28A2SLC29A1
SCHEMBL158910 0.88 PYGM (0.97) PYGMTK2SLC28A1SLC28A2SLC29A1
SCHEMBL6758925 0.88 PYGM (0.97) PYGMTK2SLC28A1SLC28A2SLC29A1
SCHEMBL12143148 0.88 PYGM (0.97) PYGMTK2SLC28A1SLC28A2SLC29A1
SCHEMBL2579064 0.88 PYGM (0.97) PYGMTK2SLC28A1SLC28A2SLC29A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080170993-A1 THYMIDINE ANALOGS FOR IMAGING BAYER SCHERING PHARMA AG (DE) 2008-07-17 US disclosed
WO-2008049644-A1 THYMIDINE ANALOGS FOR IMAGING BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-05-02 WO disclosed
EP-1916003-A1 Thymidine analogs for imaging Bayer Schering Pharma Aktiengesellschaft (DE) 2008-04-30 EP 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 (1 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-20080170993-A1 THYMIDINE ANALOGS FOR IMAGING TK1, TYMP, TK2 PYGM 767/4885TK2 3/4885CDA 103/4885

“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.