SCHEMBL15514995

SCHEMBL15514995

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

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 13/20 0.55
▸ CDC25B P30305 12/20 0.55
▸ PTPN2 P17706 8/20 0.55
▸ PTPN6 P29350 5/20 0.55
▸ PTPN11 Q06124 5/20 0.55
▸ CDC25A P30304 3/20 0.55
▸ NT5E P21589 1/20 0.50
▸ TACR2 P21452 1/20 0.46
▸ TP53 P04637 2/20 0.45
▸ MDM2 Q00987 2/20 0.45
▸ MDM4 O15151 1/20 0.45
▸ HSP90AA1 P07900 1/20 0.45
▸ HSP90AB1 P08238 1/20 0.45

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
SCHEMBL12812854 0.87 NT5E (0.51) PTPN1CDC25BPTPN2PTPN6PTPN11
SCHEMBL14001397 0.86 PTPN1 (0.50) PTPN1CDC25BPTPN2PTPN6PTPN11
SCHEMBL12612570 0.86 PTPN1 (0.50) PTPN1CDC25BPTPN2PTPN6PTPN11
SCHEMBL5840884 0.86 TP53 (0.55) PTPN1CDC25BPTPN2PTPN6PTPN11
SCHEMBL5840927 0.86 TP53 (0.55) PTPN1CDC25BPTPN2PTPN6PTPN11
SCHEMBL16967451 0.86 TP53 (0.55) PTPN1CDC25BPTPN2PTPN6PTPN11
SCHEMBL15514084 0.86 TP53 (0.55) PTPN1CDC25BPTPN2PTPN6PTPN11
SCHEMBL15513814 0.86 NT5E (0.53) PTPN1CDC25BPTPN2PTPN6PTPN11
SCHEMBL30980693 0.84 PTPN1 (0.47) PTPN1CDC25BPTPN2PTPN6PTPN11
SCHEMBL7582210 0.83 TP53 (0.55) PTPN1CDC25BPTPN2PTPN6PTPN11

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 PTPN1 1433/4885CDC25B 1566/4885PTPN2 1638/4885

“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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