SCHEMBL1098024

SCHEMBL1098024

CC(=O)OC1O[C@@](COCc2ccccc2)(COS(C)(=O)=O)[C@@H](OCc2ccccc2)[C@H]1OC(C)=O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
GSTP1 P09211 2/20 0.34
LMNA P02545 1/20 0.33
BCHE P06276 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPK1 P28482 1/20 0.33
SELP P16109 1/20 0.32
IDO1 P14902 1/20 0.32
METAP2 P50579 2/20 0.32
CAPN1 P07384 1/20 0.32
NT5E P21589 1/20 0.32

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
SCHEMBL14511226 1.00 ALDH1A1 (0.36) ALDH1A1GSTP1LMNABCHECYP2D6
SCHEMBL1098026 1.00 ALDH1A1 (0.36) ALDH1A1GSTP1LMNABCHECYP2D6
SCHEMBL5696092 0.96 ALDH1A1 (0.39) ALDH1A1GSTP1LMNABCHECYP2D6
SCHEMBL14511230 0.96 ALDH1A1 (0.39) ALDH1A1GSTP1LMNABCHECYP2D6
SCHEMBL5696091 0.96 ALDH1A1 (0.39) ALDH1A1GSTP1LMNABCHECYP2D6
SCHEMBL1096197 0.94 BCHE (0.39) ALDH1A1GSTP1BCHEMETAP2
SCHEMBL1096195 0.94 BCHE (0.39) ALDH1A1GSTP1BCHEMETAP2
SCHEMBL1097346 0.94 BCHE (0.39) ALDH1A1GSTP1BCHEMETAP2
SCHEMBL5846888 0.92 ALDH1A1 (0.36) ALDH1A1GSTP1LMNABCHECYP2D6
SCHEMBL5846892 0.92 ALDH1A1 (0.36) ALDH1A1GSTP1LMNABCHECYP2D6

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-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 ALDH1A1 3403/4885GSTP1 4778/4885LMNA 271/4885
US-20030144231-A1 Oligonucleotide analogues TARBP1, DCLRE1B, ADAR ALDH1A1 3403/4885GSTP1 4778/4885LMNA 271/4885
US-20100267018-A1 OLIGONUCLEOTIDE ANALOGUES POLRMT, POLM, POLN ALDH1A1 3811/4885GSTP1 3599/4885LMNA 496/4885
US-20110245327-A1 Oligonucleotide Analogues POLRMT, POLM, POLN ALDH1A1 3811/4885GSTP1 3599/4885LMNA 496/4885
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 ALDH1A1 4268/4885GSTP1 4683/4885LMNA 173/4885
US-20100279895-A1 OLIGONUCLEOTIDE ANALOGUES POLRMT, POLM, POLN ALDH1A1 3811/4885GSTP1 3599/4885LMNA 496/4885

“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.