SCHEMBL17867777

SCHEMBL17867777

CCC(CC)C(=O)O[C@H]1C[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TACR2 P21452 3/20 0.45
▸ SSTR1 P30872 2/20 0.44
▸ SSTR2 P30874 2/20 0.44
▸ SSTR4 P31391 2/20 0.44
▸ SSTR3 P32745 2/20 0.44
▸ SSTR5 P35346 2/20 0.44
▸ NT5E P21589 1/20 0.43
▸ GJB2 P29033 2/20 0.41
▸ PTPN1 P18031 8/20 0.41
▸ CDC25B P30305 5/20 0.41
▸ BCHE P06276 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ PTPN2 P17706 4/20 0.40
▸ PTPN11 Q06124 3/20 0.40
▸ PTPN6 P29350 2/20 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
SCHEMBL17867746 0.96 TACR2 (0.45) TACR2SSTR1SSTR2SSTR4SSTR3
SCHEMBL17867749 0.93 SSTR1 (0.41) TACR2SSTR1SSTR2SSTR4SSTR3
SCHEMBL17867761 0.92 TACR2 (0.44) TACR2SSTR1SSTR2SSTR4SSTR3
SCHEMBL17867747 0.88 TACR2 (0.44) TACR2SSTR1SSTR2SSTR4SSTR3
SCHEMBL21176708 0.88 TACR2 (0.44) TACR2SSTR1SSTR2SSTR4SSTR3
SCHEMBL9094454 0.86 NT5E (0.46) TACR2SSTR1SSTR2SSTR4SSTR3
SCHEMBL9094458 0.86 NT5E (0.46) TACR2SSTR1SSTR2SSTR4SSTR3
SCHEMBL17867760 0.85 SSTR1 (0.40) TACR2SSTR1SSTR2SSTR4SSTR3
SCHEMBL17867735 0.85 TACR2 (0.44) TACR2SSTR1SSTR2SSTR4SSTR3
SCHEMBL17867734 0.85 TACR2 (0.44) TACR2SSTR1SSTR2SSTR4SSTR3

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-10201554-B2 Esters of 2-deoxy-monosacharides with anti proliferative activity BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-02-12 — — US disclosed
US-20160184336-A1 ESTERS OF 2-DEOXY-MONOSACHARIDES WITH ANTI PROLIFERATIVE ACTIVITY BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-06-30 — — 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-10201554-B2 Esters of 2-deoxy-monosacharides with anti proliferative activity DERA, G6PD, HK2 TACR2 4691/4885SSTR1 2920/4885SSTR2 1978/4885
US-20160184336-A1 ESTERS OF 2-DEOXY-MONOSACHARIDES WITH ANTI PROLIFERATIVE ACTIVITY DERA, G6PD, HK2 TACR2 4691/4885SSTR1 2920/4885SSTR2 1978/4885

“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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