SCHEMBL1097290

SCHEMBL1097290

CO[C@H]1O[C@@](COCc2ccccc2)(COS(C)(=O)=O)[C@@H](OCc2ccccc2)[C@H]1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.36
IDO1 P14902 1/20 0.33
LGALS8 O00214 1/20 0.33
GRM2 Q14416 1/20 0.33
GRM3 Q14832 1/20 0.33
PTPN1 P18031 2/20 0.32
GSTP1 P09211 2/20 0.32
SSTR1 P30872 1/20 0.31
SSTR2 P30874 1/20 0.31
SSTR4 P31391 1/20 0.31
SSTR3 P32745 1/20 0.31
SSTR5 P35346 1/20 0.31
LGALS3 P17931 1/20 0.31
PTPN2 P17706 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 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
SCHEMBL23818771 0.90 SSTR1 (0.36) BCHEIDO1LGALS8GRM2GRM3
SCHEMBL135297 0.90 APLNR (0.34) CA1CA2
SCHEMBL1097291 0.88 BCHE (0.36) BCHEPTPN1GSTP1SSTR1SSTR2
SCHEMBL1096197 0.85 BCHE (0.39) BCHELGALS8PTPN1GSTP1PTPN2
SCHEMBL1097346 0.85 BCHE (0.39) BCHELGALS8PTPN1GSTP1PTPN2
SCHEMBL1096195 0.85 BCHE (0.39) BCHELGALS8PTPN1GSTP1PTPN2
SCHEMBL136625 0.85 APLNR (0.36) IDO1ALDH1A1
SCHEMBL14511262 0.85 APLNR (0.36) IDO1ALDH1A1
SCHEMBL703496 0.84 BCHE (0.36) BCHEIDO1LGALS8GRM2GRM3
SCHEMBL24120239 0.83 BCHE (0.34) BCHEIDO1LGALS8GRM2GRM3

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 19 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-20030144231-A1 Oligonucleotide analogues EXIQON A/S (DK) 2003-07-31 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 BCHE 3572/4885IDO1 4023/4885LGALS8 2479/4885
US-20030144231-A1 Oligonucleotide analogues TARBP1, DCLRE1B, ADAR BCHE 3572/4885IDO1 4023/4885LGALS8 2479/4885
US-20100267018-A1 OLIGONUCLEOTIDE ANALOGUES POLRMT, POLM, POLN BCHE 3843/4885IDO1 4397/4885LGALS8 3233/4885
US-20110245327-A1 Oligonucleotide Analogues POLRMT, POLM, POLN BCHE 3843/4885IDO1 4397/4885LGALS8 3233/4885
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 BCHE 3364/4885IDO1 4816/4885LGALS8 2444/4885
US-20100279895-A1 OLIGONUCLEOTIDE ANALOGUES POLRMT, POLM, POLN BCHE 3843/4885IDO1 4397/4885LGALS8 3233/4885

“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.