SCHEMBL1096963

SCHEMBL1096963

COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)[C@H]3OC[C@]32OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TK2 O00142 9/20 0.32
TK1 P04183 7/20 0.32
NT5E P21589 1/20 0.32
TYMP P19971 1/20 0.32
BCHE P06276 1/20 0.31
HSP90AA1 P07900 1/20 0.30

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
SCHEMBL1097588 0.94 TYMP (0.32) TK2TK1NT5ETYMPBCHE
SCHEMBL28538755 0.85 TK2 (0.32) TK2TK1NT5ETYMPBCHE
SCHEMBL6830095 0.85 TK2 (0.35) TK2TK1
SCHEMBL6829890 0.84 TK2 (0.34) TK2TK1
SCHEMBL7257854 0.81 TK2 (0.31) TK2TK1TYMP
SCHEMBL1098307 0.81 TK2 (0.31) TK2TK1TYMP
SCHEMBL24187620 0.81 TK2 (0.33) TK2TK1
SCHEMBL6861554 0.81 TK2 (0.33) TK2TK1
SCHEMBL7261209 0.80 TYMP (0.36) TK2TK1TYMP
SCHEMBL31570211 0.80 TYMP (0.36) TK2TK1TYMP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210054377-A1 ANTISENSE OLIGONUCLEOTIDE REDUCED IN TOXICITY TOKYO INSTITUTE OF TECHNOLOGY (JP) 2021-02-25 US disclosed
EP-1015469-B2 BI- AND TRI-CYCLIC NUCLEOSIDE, NUCLEOTIDE AND OLIGONUCLEOIDE ANALOGUES EXIQON AS (DK) 2015-11-18 EP disclosed
US-8153365-B2 Oligonucleotide analogues EXIQON A/S (DK) 2012-04-10 US disclosed
US-8080644-B2 Oligonucleotide analogues EXIQON A/S (DK) 2011-12-20 US disclosed
US-8034909-B2 Oligonucleotide analogues EXIQON A/S (DK) 2011-10-11 US disclosed
US-20110245327-A1 Oligonucleotide Analogues EXIQON A/S (DK) 2011-10-06 US disclosed
EP-2341058-A2 Oligonucleotide Analogues Exiqon A/S (DK) 2011-07-06 EP disclosed
EP-2341057-A2 Oligonucleotide Analogues Exiqon A/S (DK) 2011-07-06 EP disclosed
EP-2253639-A1 Bi- and tri-cyclic nucleoside, nucleotide and oligonucleoide analogues Exiqon A/S (DK) 2010-11-24 EP disclosed
US-20100279895-A1 OLIGONUCLEOTIDE ANALOGUES EXIQON A/S (DK) 2010-11-04 US disclosed
US-20100267018-A1 OLIGONUCLEOTIDE ANALOGUES EXIQON A/S (DK) 2010-10-21 US disclosed
US-7572582-B2 Oligonucleotide analogues EXIQON A/S (DK) 2009-08-11 US disclosed
US-7034133-B2 Locked Nucleoside Analogues is a biochemical conjugate of nucleotides; as an aptamer in specific binding of antibiotics, drugs, amino acids, peptides, enzymes, saccharides, polysaccharides; heat resistance EXIQON A/S (DK) 2006-04-25 US disclosed
US-20050287566-A1 BICYCLIC LOCKED NUCLEOSIDE ANALOGUES; using an oligomer to isolate, purify, amplify, detect, identify, quantify or capture a natural or synthetic nucleic acid QIAGEN GMBH (DE) 2005-12-29 US disclosed
EP-1557424-A1 Bi-cyclic nucleoside, nucleotide and oligonucleoide analogues Exiqon A/S (DK) 2005-07-27 EP disclosed
EP-1015469-B1 BI- AND TRI-CYCLIC NUCLEOSIDE, NUCLEOTIDE AND OLIGONUCLEOIDE ANALOGUES EXIQON AS (DK) 2005-04-13 EP disclosed
US-6670461-B1 Bi-, tri, or polycyclic nucleoside analogues having a \"locked\" structure capable of forming heat resistant nucleobase specific duplexes and triplexes with single and double stranded nucleic acids. EXIQON A/S (DK) 2003-12-30 US disclosed
US-20030134808-A1 Oligonucleotide analogues WENGEL JESPER (DK) 2003-07-17 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 (6 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-20030134808-A1 Oligonucleotide analogues TARBP1, DCLRE1B, ADAR TK2 25/4885TK1 7/4885NT5E 168/4885
US-20210054377-A1 ANTISENSE OLIGONUCLEOTIDE REDUCED IN TOXICITY L3MBTL4, UPF1, L3MBTL3 TK2 55/4885TK1 54/4885NT5E 86/4885
US-20100267018-A1 OLIGONUCLEOTIDE ANALOGUES POLRMT, POLM, POLN TK2 55/4885TK1 26/4885NT5E 48/4885
US-20110245327-A1 Oligonucleotide Analogues POLRMT, POLM, POLN TK2 55/4885TK1 26/4885NT5E 48/4885
US-20050287566-A1 BICYCLIC LOCKED NUCLEOSIDE ANALOGUES; using an oligomer to isolate, purify, amplify, detect, identify, quantify or capture a natural or synthetic nucleic acid POLRMT, POLM, POLN TK2 126/4885TK1 53/4885NT5E 59/4885
US-20100279895-A1 OLIGONUCLEOTIDE ANALOGUES POLRMT, POLM, POLN TK2 55/4885TK1 26/4885NT5E 48/4885

“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.