SCHEMBL6464531

SCHEMBL6464531

Cc1cn(CC(=O)N(CCC(=O)O)CNC(=O)OC(C)(C)C)c(=O)[nH]c1=O

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TK1 P04183 5/20 0.38
HPGD P15428 1/20 0.36
TK2 O00142 2/20 0.35

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
SCHEMBL5158820 0.85 TK1 (0.37) TK1HPGDTK2
SCHEMBL8642052 0.81 TK1 (0.39) TK1TK2
SCHEMBL7761597 0.79 HPGD (0.41) TK1HPGD
SCHEMBL5175003 0.79 KMT2A (0.40) TK1TK2
SCHEMBL6468189 0.79 TK1 (0.37) TK1TK2
SCHEMBL6924142 0.77 TK1 (0.38) TK1HPGDTK2
SCHEMBL6513732 0.77 TK1 (0.38) TK1HPGDTK2
SCHEMBL6931032 0.77 TK1 (0.38) TK1HPGDTK2
SCHEMBL2153725 0.77 TK2 (0.39) TK1TK2
SCHEMBL6844559 0.76 TK1 (0.38) TK1HPGDTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050009041-A1 Peptide nucleic acids and synthetic procedures therefor BUCHARDT OLE (DK) 2005-01-13 US disclosed
US-6713602-B1 COMPOUNDS THAT ARE NOT POLYNUCLEOTIDES YET WHICH BIND TO COMPLEMENTARY DNA AND RNA STRANDS MORE STRONGLY THE CORRESPONDING DNA BUCHARDT OLE (DK) 2004-03-30 US 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-20050009041-A1 Peptide nucleic acids and synthetic procedures therefor POLRMT, CPSF7, RNGTT TK1 290/4885HPGD 4345/4885TK2 495/4885

“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.