SCHEMBL4421768

SCHEMBL4421768

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

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.48
GJB2 P29033 1/20 0.47
SLC6A2 P23975 2/20 0.44
SSTR1 P30872 1/20 0.44
SSTR2 P30874 1/20 0.44
SSTR4 P31391 1/20 0.44
SSTR3 P32745 1/20 0.44
SSTR5 P35346 1/20 0.44
PTPN1 P18031 7/20 0.43
CDC25B P30305 6/20 0.43
PTPN2 P17706 3/20 0.43
PTPN11 Q06124 3/20 0.43
PTPN6 P29350 2/20 0.43
HTR1A P08908 1/20 0.43
TACR2 P21452 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 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
SCHEMBL27828449 1.00 NT5E (0.48) NT5EGJB2SLC6A2SSTR1SSTR2
SCHEMBL2589252 1.00 NT5E (0.48) NT5EGJB2SLC6A2SSTR1SSTR2
SCHEMBL19731779 1.00 NT5E (0.48) NT5EGJB2SLC6A2SSTR1SSTR2
SCHEMBL7155844 0.93 GJB2 (0.52) NT5EGJB2SLC6A2SSTR1SSTR2
SCHEMBL7567425 0.91 SLC6A2 (0.47) NT5EGJB2SLC6A2SSTR1SSTR2
SCHEMBL22683015 0.91 SLC6A2 (0.47) NT5EGJB2SLC6A2SSTR1SSTR2
SCHEMBL8708672 0.91 GJB2 (0.52) NT5EGJB2SLC6A2SSTR1SSTR2
SCHEMBL20139723 0.91 SLC6A2 (0.47) NT5EGJB2SLC6A2SSTR1SSTR2
SCHEMBL7567428 0.91 SLC6A2 (0.47) NT5EGJB2SLC6A2SSTR1SSTR2
SCHEMBL6265877 0.89 SSTR1 (0.52) NT5ESSTR1SSTR2SSTR4SSTR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7528153-B2 Deoxynojirimycin analogues and their uses as glucosylceramidase inhibitors GENZYME CORPORATION (US) 2009-05-05 US disclosed
US-20070066581-A1 Deoxynojirimycin analogues and their uses as glucosylceramidase inhibitors GENZYME CORPORATION 2007-03-22 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 (1 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-20070066581-A1 Deoxynojirimycin analogues and their uses as glucosylceramidase inhibitors GAA, GBA1, GBA3 NT5E 795/4885GJB2 4880/4885SLC6A2 1384/4885

“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.