SCHEMBL6364862

SCHEMBL6364862

C=C1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TK2 O00142 7/20 0.47
TK1 P04183 9/20 0.47
HSP90AA1 P07900 1/20 0.46
RNASE1 P07998 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
SCHEMBL6370075 0.94 TK2 (0.43) TK2TK1HSP90AA1RNASE1
SCHEMBL14638734 0.83 TYMP (0.43) TK2TK1RNASE1
SCHEMBL25061415 0.81 TK1 (0.47) TK1
SCHEMBL6328992 0.80 RNASE1 (0.52) TK2TK1RNASE1
SCHEMBL1727320 0.80 POLB (0.58) TK1
SCHEMBL10446716 0.80 POLB (0.58) TK1
SCHEMBL6328988 0.80 RNASE1 (0.52) TK2TK1RNASE1
SCHEMBL8189618 0.80 RNASE1 (0.52) TK2TK1RNASE1
SCHEMBL6334503 0.80 POLB (0.58) TK1
SCHEMBL7746722 0.80 RNASE1 (0.52) TK2TK1RNASE1

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-20050176941-A1 Nucleoside analogues whose sugar moieties are bound in s-form and oligonucleotide derivatives comprising nucleotide analogues thereof TAKESHI IMANISHI (JP) 2005-08-11 US disclosed
EP-1486504-A1 NUCLEOSIDE ANALOGUES WHOSE SUGAR MOIETIES ARE BOUND IN S-FORM AND OLIGONUCLEOTIDE DERIVATIVES COMPRISING NUCLEOTIDE ANALOGUES THEREOF Imanishi, Takeshi (JP) 2004-12-15 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-20050176941-A1 Nucleoside analogues whose sugar moieties are bound in s-form and oligonucleotide derivatives comprising nucleotide analogues thereof RNGTT, NSUN2, SNRPE TK2 1101/4885TK1 259/4885HSP90AA1 1743/4885

“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.