SCHEMBL1096958

SCHEMBL1096958

CC(=O)OC[C@]1(COCc2ccccc2)O[C@@H](n2ccc(NC(=O)c3ccccc3)nc2=O)[C@H](OC(C)=O)[C@@H]1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 7/20 0.42
P2RY14 Q15391 2/20 0.42
NT5E P21589 1/20 0.42
POLB P06746 1/20 0.42
ABL1 P00519 1/20 0.41
RIN1 Q13671 1/20 0.41
ST6GAL1 P15907 5/20 0.36
P2RY2 P41231 3/20 0.35
P2RY4 P51582 3/20 0.35
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
GSTP1 P09211 2/20 0.34
USP30 Q70CQ3 1/20 0.34

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
SCHEMBL26122705 0.92 P2RY6 (0.42) P2RY6P2RY14NT5EPOLBABL1
SCHEMBL26122701 0.92 P2RY6 (0.42) P2RY6P2RY14NT5EPOLBABL1
SCHEMBL13607348 0.89 P2RY6 (0.38) P2RY6P2RY14NT5EPOLBABL1
SCHEMBL26125336 0.88 POLB (0.45) P2RY6P2RY14NT5EPOLBABL1
SCHEMBL26125331 0.88 POLB (0.45) P2RY6P2RY14NT5EPOLBABL1
SCHEMBL1060591 0.84 POLB (0.38) P2RY6P2RY14NT5EPOLBABL1
SCHEMBL26122341 0.82 P2RY6 (0.40) P2RY6P2RY14NT5EPOLBABL1
SCHEMBL2156785 0.81 P2RY6 (0.49) P2RY6P2RY14NT5EPOLBABL1
SCHEMBL1097345 0.81 TDP1 (0.42) P2RY6NT5EP2RY2P2RY4GSTP1
SCHEMBL26123750 0.80 P2RY6 (0.48) P2RY6P2RY14NT5EPOLBABL1

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
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 1842/4885NT5E 168/4885
US-20100267018-A1 OLIGONUCLEOTIDE ANALOGUES POLRMT, POLM, POLN P2RY6 1398/4885P2RY14 1731/4885NT5E 48/4885
US-20110245327-A1 Oligonucleotide Analogues POLRMT, POLM, POLN P2RY6 1398/4885P2RY14 1731/4885NT5E 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 P2RY6 1694/4885P2RY14 1103/4885NT5E 59/4885
US-20100279895-A1 OLIGONUCLEOTIDE ANALOGUES POLRMT, POLM, POLN P2RY6 1398/4885P2RY14 1731/4885NT5E 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.