SCHEMBL1098282

SCHEMBL1098282

COc1ccc(C(OC[C@@]23CO[C@@H]([C@H](n4ccc(=O)[nH]c4=O)O2)[C@@H]3O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 3/20 0.38
P2RY14 Q15391 2/20 0.38
TYMP P19971 1/20 0.38
NT5E P21589 1/20 0.37
DUT P33316 5/20 0.37
SLC6A1 P30531 2/20 0.35
SLC6A11 P48066 1/20 0.35
P2RY2 P41231 2/20 0.34
SLC28A1 O00337 1/20 0.34
SLC28A2 O43868 1/20 0.34
SLC29A1 Q99808 1/20 0.34
SLC28A3 Q9HAS3 1/20 0.34
P2RY12 Q9H244 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
SCHEMBL4074748 1.00 P2RY6 (0.38) P2RY6P2RY14TYMPNT5EDUT
SCHEMBL7096692 0.89 P2RY6 (0.41) P2RY6P2RY14TYMPNT5EDUT
SCHEMBL12386210 0.89 P2RY6 (0.41) P2RY6P2RY14TYMPNT5EDUT
SCHEMBL4075035 0.89 NT5E (0.40) P2RY6P2RY14TYMPNT5EDUT
SCHEMBL24512779 0.87 TK2 (0.42)
SCHEMBL5557408 0.87 TK2 (0.42)
SCHEMBL5582060 0.87 TK2 (0.42)
SCHEMBL2769235 0.87 TK2 (0.42)
SCHEMBL4074993 0.87 DUT (0.34) P2RY6P2RY14TYMPNT5EDUT
SCHEMBL5878698 0.86 SLC6A11 (0.39) TYMPSLC6A1SLC6A11

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1013661-B2 2'-O,4'-C-methylene bicyclonucleosides EXIQON AS (DK) 2018-10-24 EP disclosed
EP-2361921-B1 Bicyclo-oligonucleotide analogues EXIQON AS (DK) 2015-06-03 EP disclosed
EP-2295441-B1 Bicyclonucleoside Oligonucleotide Analogue EXIQON AS (DK) 2014-05-07 EP disclosed
US-RE44779-E1 Bicyclonucleoside and oligonucleotide analogues SANTARIS PHARMA A/S (DK) 2014-02-25 US disclosed
US-8153365-B2 Oligonucleotide analogues EXIQON A/S (DK) 2012-04-10 US disclosed
EP-1013661-B1 2'-O,4'-C-methylene bicyclonucleosides EXIQON AS (DK) 2012-01-18 EP 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
EP-2361921-A2 Novel bicyclonucleoside and oligonnucleotide analogue Exiqon A/S (DK) 2011-08-31 EP disclosed
EP-2341057-A2 Oligonucleotide Analogues Exiqon A/S (DK) 2011-07-06 EP disclosed
US-7572582-B2 Oligonucleotide analogues EXIQON A/S (DK) 2009-08-11 US disclosed
US-7569686-B1 Compounds and methods for synthesis of bicyclic nucleic acid analogs ISIS PHARMACEUTICALS, INC. (US) 2009-08-04 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
US-6794499-B2 BICYCLIC LOCKED NUCLEOSIDE ANALOGUES EXIQON A/S (DK) 2004-09-21 US 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
US-6268490-B1 NUCLEOSIDE ANALOG; FOR ANTISENSE AGENT WHICH IS HYDROLASE RESISTANT, HAS HIGH SENSE STRAND BINDING ABILITY AND IS EASILY SYNTHESIZED TAKESHI IMANISHI (JP) 2001-07-31 US disclosed
EP-1013661-A1 NOVEL BICYCLONUCLEOSIDE AND OLIGONUCLEOTIDE ANALOGUES Imanishi, Takeshi (JP) 2000-06-28 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 (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-20030134808-A1 Oligonucleotide analogues TARBP1, DCLRE1B, ADAR P2RY6 2779/4885P2RY14 1842/4885TYMP 23/4885
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 P2RY6 1694/4885P2RY14 1103/4885TYMP 61/4885

“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.