SCHEMBL21176707

SCHEMBL21176707

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 6/20 0.46
▸ SSTR1 P30872 1/20 0.42
▸ SSTR2 P30874 1/20 0.42
▸ SSTR4 P31391 1/20 0.42
▸ SSTR3 P32745 1/20 0.42
▸ SSTR5 P35346 1/20 0.42
▸ CDC25B P30305 3/20 0.42
▸ TACR2 P21452 3/20 0.42
▸ NT5E P21589 1/20 0.42
▸ SELP P16109 1/20 0.41
▸ GJB2 P29033 2/20 0.40
▸ PDE4D Q08499 1/20 0.39
▸ BCHE P06276 2/20 0.39
▸ ACHE P22303 1/20 0.39
▸ PTPN2 P17706 1/20 0.38
▸ PTPN11 Q06124 1/20 0.38
▸ ABCB1 P08183 1/20 0.37

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
SCHEMBL17867735 0.93 TACR2 (0.44) PTPN1SSTR1SSTR2SSTR4SSTR3
SCHEMBL17867734 0.93 TACR2 (0.44) PTPN1SSTR1SSTR2SSTR4SSTR3
SCHEMBL17867792 0.85 TNF (0.39) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL17867791 0.85 TNF (0.39) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL9094458 0.85 NT5E (0.46) PTPN1SSTR1SSTR2SSTR4SSTR3
SCHEMBL9094454 0.85 NT5E (0.46) PTPN1SSTR1SSTR2SSTR4SSTR3
SCHEMBL17867812 0.84 SSTR1 (0.54) PTPN1SSTR1SSTR2SSTR4SSTR3
SCHEMBL17867810 0.84 SSTR1 (0.54) PTPN1SSTR1SSTR2SSTR4SSTR3
SCHEMBL17867761 0.83 TACR2 (0.44) PTPN1SSTR1SSTR2SSTR4SSTR3
SCHEMBL17867777 0.82 TACR2 (0.45) PTPN1SSTR1SSTR2SSTR4SSTR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11925654-B2 Esters of 2-deoxy-monosaccharides with anti proliferative activity BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-03-12 — — US disclosed
US-20220023326-A1 ESTERS OF 2-DEOXY-MONOSACCHARIDES WITH ANTI PROLIFERATIVE ACTIVITY UNIV TEXAS (US) 2022-01-27 — — US disclosed
EP-3939595-A1 ESTERS OF 2-DEOXY-MONOSACCHARIDES WITH ANTI PROLIFERATIVE ACTIVITY Board of Regents, The University of Texas System (US) 2022-01-19 — — EP disclosed
US-11026960-B2 Esters of 2-deoxy-monosaccharides with anti proliferative activity BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-06-08 — — US disclosed
US-20190224225-A1 ESTERS OF 2-DEOXY-MONOSACCHARIDES WITH ANTI PROLIFERATIVE ACTIVITY BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2019-07-25 — — 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 (4 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-11925654-B2 Esters of 2-deoxy-monosaccharides with anti proliferative activity SLC2A2, SLC2A1, SLC2A4 PTPN1 2946/4885SSTR1 1912/4885SSTR2 1169/4885
US-20190224225-A1 ESTERS OF 2-DEOXY-MONOSACCHARIDES WITH ANTI PROLIFERATIVE ACTIVITY SLC2A2, SLC2A1, SLC2A4 PTPN1 2946/4885SSTR1 1912/4885SSTR2 1169/4885
US-11026960-B2 Esters of 2-deoxy-monosaccharides with anti proliferative activity SLC2A2, SLC2A1, SLC2A4 PTPN1 2946/4885SSTR1 1912/4885SSTR2 1169/4885
US-20220023326-A1 ESTERS OF 2-DEOXY-MONOSACCHARIDES WITH ANTI PROLIFERATIVE ACTIVITY SLC2A2, SLC2A1, SLC2A4 PTPN1 2946/4885SSTR1 1912/4885SSTR2 1169/4885

“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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