SCHEMBL17456128

SCHEMBL17456128

CC(=O)O[C@H]1[C@H](OCc2ccccc2)[C@H](N2C(=O)c3ccccc3C2=O)[C@@H](OCc2ccccc2)O[C@@H]1COCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.48
▸ PTPN1 P18031 8/20 0.45
▸ CDC25B P30305 8/20 0.45
▸ PTPN2 P17706 4/20 0.44
▸ PTPN6 P29350 4/20 0.44
▸ PTPN11 Q06124 4/20 0.44
▸ LMNA P02545 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ SELP P16109 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CYP2D6 P10635 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ BCHE P06276 1/20 0.40

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
SCHEMBL17456127 1.00 NT5E (0.48) NT5EPTPN1CDC25BPTPN2PTPN6
SCHEMBL8653096 0.92 NT5E (0.43) NT5EPTPN1CDC25BPTPN2PTPN6
SCHEMBL8653098 0.92 NT5E (0.43) NT5EPTPN1CDC25BPTPN2PTPN6
SCHEMBL26101393 0.90 NT5E (0.44) NT5EPTPN1CDC25BPTPN2PTPN6
SCHEMBL2312270 0.90 NT5E (0.49) NT5EPTPN1CDC25BPTPN2PTPN6
SCHEMBL3756881 0.90 NT5E (0.43) NT5EPTPN1CDC25BPTPN2PTPN6
SCHEMBL27002581 0.90 NT5E (0.43) NT5EPTPN1CDC25BPTPN2PTPN6
SCHEMBL3756883 0.90 NT5E (0.43) NT5EPTPN1CDC25BPTPN2PTPN6
SCHEMBL24804649 0.89 LMNA (0.52) LMNAPOLBKMT2ACYP2D6CA1
SCHEMBL29865166 0.89 LMNA (0.52) LMNAPOLBKMT2ACYP2D6CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20160025742-A1 SYNTHESIS AND USE OF ISOTOPICALLY-LABELLED GLYCANS FUT6, FUT5, ST6GAL1 NT5E 1127/4885PTPN1 4659/4885CDC25B 4260/4885
US-10001488-B2 Synthesis and use of isotopically-labelled glycans FUT6, FUT5, ST6GAL1 NT5E 1127/4885PTPN1 4659/4885CDC25B 4260/4885

“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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