SCHEMBL3300461

SCHEMBL3300461

CCCCC1[C@H](O)[C@@H](CO)O[C@]1(n1cc(C)c(=O)[nH]c1=O)[SiH](c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TK2 O00142 7/20 0.38
RNASE1 P07998 1/20 0.35
TK1 P04183 4/20 0.34
TYMP P19971 1/20 0.33

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
SCHEMBL8538169 0.88 TK2 (0.42) TK2TK1TYMP
SCHEMBL9396549 0.83 RNASE1 (0.39) TK2RNASE1TK1
SCHEMBL8583930 0.82
SCHEMBL9538710 0.81 TK2 (0.35) TK2TK1
SCHEMBL4949400 0.79 TK2 (0.36) TK2RNASE1TK1TYMP
SCHEMBL9392952 0.78 HPGD (0.32) TK2RNASE1
SCHEMBL4952762 0.75 TK2 (0.39) TK2RNASE1TK1TYMP
SCHEMBL8859645 0.75 TK2 (0.36) TK2RNASE1TK1
SCHEMBL5668670 0.73 RNASE1 (0.37) TK2RNASE1TK1TYMP
SCHEMBL16267750 0.73 SLC28A1 (0.41)

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-20100093990-A1 Nucleotide with an Alpha-Phosphate Mimetic ROCHE DIAGNOSTICS GMBH (DE) 2010-04-15 US disclosed
EP-2147010-A1 NUCLEOTIDE WITH AN ALPHA-PHOSPHATE MIMETIC Roche Diagnostics GmbH (DE) 2010-01-27 EP disclosed
WO-2008128686-A1 NUCLEOTIDE WITH AN ALPHA-PHOSPHATE MIMETIC ROCHE DIAGNOSTICS GMBH (DE) 2008-10-30 WO disclosed
WO-1998035978-A9 AMINOOXY-MODIFIED OLIGONUCLEOTIDES 1999-01-14 WO disclosed
WO-1994022883-A1 BACKBONE MODIFIED OLIGONUCLEOTIDES AND THEIR PREPARATION ISIS PHARMACEUTICALS, INC. (US) 1994-10-13 WO disclosed
WO-1994022893-A1 OLIGONUCLEOSIDE LINKAGES CONTAINING ADJACENT NITROGEN ATOMS ISIS PHARMACEUTICALS, INC. (US) 1994-10-13 WO disclosed
WO-1994022886-A1 HETEROATOMIC OLIGONUCLEOSIDE LINKAGES ISIS PHARMACEUTICALS, INC. (US) 1994-10-13 WO disclosed
WO-1994022454-A1 OLIGONUCLEOSIDE LINKAGES CONTAINING ADJACENT OXYGEN AND NITROGEN ATOMS ISIS PHARMACEUTICALS, INC. (US) 1994-10-13 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 (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-20100093990-A1 Nucleotide with an Alpha-Phosphate Mimetic PNP, APRT, PPA1 TK2 125/4885RNASE1 787/4885TK1 137/4885

“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.