SCHEMBL15513814

SCHEMBL15513814

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

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.53
▸ PTPN1 P18031 10/20 0.51
▸ CDC25B P30305 8/20 0.51
▸ PTPN2 P17706 5/20 0.51
▸ PTPN11 Q06124 5/20 0.51
▸ PTPN6 P29350 4/20 0.51
▸ TACR2 P21452 3/20 0.51
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ MDM2 Q00987 1/20 0.46

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
SCHEMBL16967451 0.91 TP53 (0.55) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL5840927 0.91 TP53 (0.55) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL5840884 0.91 TP53 (0.55) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL15514084 0.91 TP53 (0.55) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL12812854 0.90 NT5E (0.51) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL7582210 0.88 TP53 (0.55) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL11173059 0.87 TP53 (0.52) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL13491599 0.86 POLB (0.52) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL7583524 0.86 POLB (0.52) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL16628842 0.86 L3MBTL1 (0.58) NT5EPTPN1CDC25BPTPN2PTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140073589-A1 Amphetamine Prodrugs SHIRE AG (CH) 2014-03-13 — — 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-20140073589-A1 Amphetamine Prodrugs SLC6A2, SLC6A3, TAAR5 NT5E 894/4885PTPN1 1433/4885CDC25B 1566/4885

“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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