SCHEMBL5489351

SCHEMBL5489351

Cc1cn([C@H]2C[C@@H](OS(C)(=O)=O)[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)[nH]c1=O

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RNASE1 P07998 1/20 0.53
TK2 O00142 5/20 0.46
TK1 P04183 5/20 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
SCHEMBL5475148 1.00 RNASE1 (0.53) RNASE1TK2TK1
SCHEMBL30976656 1.00 RNASE1 (0.53) RNASE1TK2TK1
SCHEMBL5489355 1.00 RNASE1 (0.53) RNASE1TK2TK1
SCHEMBL5475154 1.00 RNASE1 (0.53) RNASE1TK2TK1
SCHEMBL6251494 0.94 RNASE1 (0.48) RNASE1TK2TK1
SCHEMBL6251497 0.94 RNASE1 (0.48) RNASE1TK2TK1
SCHEMBL9810769 0.90 TK1 (0.43) RNASE1TK1
SCHEMBL9810774 0.90 TK1 (0.43) RNASE1TK1
SCHEMBL6339812 0.90 RNASE1 (0.50) RNASE1TK2TK1
SCHEMBL6339815 0.90 RNASE1 (0.50) RNASE1TK2TK1

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-20070065922-A1 Biocatalytic synthesis of aminodeoxy purine N9-beta-D-nucleosides containing 3-amino-3-deoxy-beta-D-ribofuranose, 3-amino-2,3-dideoxy-beta-D-ribofuranose, and 2-amino-2-deoxy-beta-D-ribofuranose as sugar moieties METKINEN OY (FI) 2007-03-22 US disclosed
US-6891033-B2 Chemical intermediates such as 3-N-Boc-1-(5-O-(4,4'-dimethoxytrityl)-3-O-nosyl-2-deoxy-beta-D -lyxofuranosyl)thymine; use of final compound in positron emission tomography (PET) DEUTSCHES KREBSFORSCHUNGSZENTRUM STIFTUNG DES OFFENTLICHEN RECHTS (DE) 2005-05-10 US disclosed
US-20040110720-A1 Labelling compounds for the simple synthesis of 3'-(18f)fluoro-3'-deoxy thymidine and a method for the production thereof DEUTCHES KREBSFORSCHUNGSZENTRUM STIFTUNG DES O'FFENTLICHEN RECHTS (DE) 2004-06-10 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 (2 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-20070065922-A1 Biocatalytic synthesis of aminodeoxy purine N9-beta-D-nucleosides containing 3-amino-3-deoxy-beta-D-ribofuranose, 3-amino-2,3-dideoxy-beta-D-ribofuranose, and 2-amino-2-deoxy-beta-D-ribofuranose as sugar moieties DUT, UNG, GALE RNASE1 101/4885TK2 171/4885TK1 71/4885
US-20040110720-A1 Labelling compounds for the simple synthesis of 3'-(18f)fluoro-3'-deoxy thymidine and a method for the production thereof TK1, TYMS, TYMP RNASE1 873/4885TK2 16/4885TK1 1/4885

“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.