SCHEMBL2312270

SCHEMBL2312270

O=C1c2ccccc2C(=O)N1[C@@H]1[C@@H](OCc2ccccc2)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.49
▸ HTR1A P08908 1/20 0.47
▸ PTPN1 P18031 9/20 0.47
▸ CDC25B P30305 8/20 0.47
▸ PTPN2 P17706 5/20 0.47
▸ PTPN11 Q06124 5/20 0.47
▸ PTPN6 P29350 4/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ SSTR1 P30872 1/20 0.43
▸ SSTR2 P30874 1/20 0.43
▸ SSTR4 P31391 1/20 0.43
▸ SSTR3 P32745 1/20 0.43
▸ SSTR5 P35346 1/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ TACR2 P21452 1/20 0.41
▸ GJB2 P29033 1/20 0.41

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
SCHEMBL2311035 0.92 NT5E (0.44) NT5EHTR1APTPN1CDC25BPTPN2
SCHEMBL11102696 0.92 NT5E (0.45) NT5EHTR1APTPN1CDC25BPTPN2
SCHEMBL16633056 0.90 LGALS3 (0.46) NT5EHTR1APTPN1CDC25BPTPN2
SCHEMBL8654521 0.90 HTR1A (0.46) NT5EHTR1APTPN1CDC25BPTPN2
SCHEMBL17456127 0.90 NT5E (0.48) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL17456128 0.90 NT5E (0.48) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL2312267 0.87 LGALS3 (0.50) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL22677686 0.87 SSTR1 (0.53) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL2309944 0.86 NT5E (0.39) NT5EHTR1APTPN1CDC25BPTPN2
SCHEMBL2309941 0.86 NT5E (0.39) NT5EHTR1APTPN1CDC25BPTPN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10668143-B2 Meningococcus serogroup X conjugate GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2020-06-02 — — US disclosed
US-10124051-B2 Meningococcus serogroup X conjugate GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2018-11-13 — — US disclosed
US-10001488-B2 Synthesis and use of isotopically-labelled glycans Asocación Centro de Investigación Cooperativa en Biomaterials (ES) 2018-06-19 — — US disclosed
EP-2981541-B1 SYNTHESIS AND USE OF ISOTOPICALLY-LABELLED GLYCANS ASOCIACIÓN CENTRO DE INVESTIGACIÓN COOP EN BIOMATERIALES (ES) 2017-09-13 — — EP disclosed
US-20160025742-A1 SYNTHESIS AND USE OF ISOTOPICALLY-LABELLED GLYCANS ASOCACIÓN CENTRO DE INVESTIGACIÓN COOPERATIVA EN BIOMATERIALES (ES) 2016-01-28 — — US disclosed
US-20150104479-A1 MENINGOCOCCUS SEROGROUP X CONJUGATE NOVARTIS AG (CH) 2015-04-16 — — US disclosed
EP-1232168-B1 SYNTHETIC LIPID-A ANALOGS AND USES THEREOF ONCOTHYREON INC (US) 2011-08-03 — — EP disclosed
EP-1232168-A2 SYNTHETIC LIPID-A ANALOGS AND USES THEREOF BIOMIRA, INC. (CA) 2002-08-21 — — EP disclosed
WO-2001036433-A2 SYNTHETIC LIPID-A ANALOGS AND USES THEREOF BIOMIRA, INC. (CA) 2001-05-25 — — WO 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-10668143-B2 Meningococcus serogroup X conjugate O60361, MLEC, PDHX NT5E 1694/4885HTR1A 3761/4885PTPN1 1871/4885
US-20160025742-A1 SYNTHESIS AND USE OF ISOTOPICALLY-LABELLED GLYCANS FUT6, FUT5, ST6GAL1 NT5E 1127/4885HTR1A 4742/4885PTPN1 4659/4885
US-10001488-B2 Synthesis and use of isotopically-labelled glycans FUT6, FUT5, ST6GAL1 NT5E 1127/4885HTR1A 4742/4885PTPN1 4659/4885
US-20150104479-A1 MENINGOCOCCUS SEROGROUP X CONJUGATE O60361, MLEC, PDHX NT5E 1694/4885HTR1A 3761/4885PTPN1 1871/4885
US-10124051-B2 Meningococcus serogroup X conjugate O60361, PDHX, MLEC NT5E 1903/4885HTR1A 3856/4885PTPN1 2107/4885

“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.

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