SCHEMBL17867797

SCHEMBL17867797

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 1/20 0.39
▸ TACR2 P21452 2/20 0.36
▸ KLK7 P49862 1/20 0.36
▸ KLK5 Q9Y337 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CA12 O43570 4/20 0.36
▸ CA1 P00915 4/20 0.36
▸ CA2 P00918 4/20 0.36
▸ CA9 Q16790 4/20 0.36
▸ CA14 Q9ULX7 4/20 0.36
▸ PTPN1 P18031 1/20 0.35
▸ CDC25B P30305 1/20 0.35
▸ PRKD3 O94806 1/20 0.35
▸ PRKCG P05129 1/20 0.35
▸ PRKCB P05771 1/20 0.35
▸ PRKCA P17252 1/20 0.35
▸ PRKCH P24723 1/20 0.35
▸ PRKCI P41743 1/20 0.35

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
SCHEMBL17867795 1.00 TNF (0.39) TNFTACR2KLK7KLK5CYP2D6
SCHEMBL17867753 0.85 TNF (0.41) TNFTACR2ALDH1A1MAPK1CA12
SCHEMBL17867752 0.85 TNF (0.41) TNFTACR2ALDH1A1MAPK1CA12
SCHEMBL17867770 0.83 BCHE (0.43) TNFTACR2ALDH1A1MAPK1CA12
SCHEMBL17867771 0.83 BCHE (0.43) TNFTACR2ALDH1A1MAPK1CA12
SCHEMBL17867811 0.82 TNF (0.43) TNFTACR2CYP2D6ALDH1A1MAPK1
SCHEMBL17867722 0.81 TACR2 (0.39) TNFTACR2CYP2D6ALDH1A1MAPK1
SCHEMBL17867754 0.79 TACR2 (0.38) TNFTACR2KLK7KLK5CYP2D6
SCHEMBL17867726 0.77 TACR2 (0.39) TNFTACR2ALDH1A1MAPK1CA1
SCHEMBL16155609 0.77 PRKD3 (0.50) CA12CA1CA2CA9CA14

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 7 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
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 (6 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 TNF 3759/4885TACR2 4691/4885KLK7 1722/4885
US-11925654-B2 Esters of 2-deoxy-monosaccharides with anti proliferative activity SLC2A2, SLC2A1, SLC2A4 TNF 3445/4885TACR2 4635/4885KLK7 1956/4885
US-20190224225-A1 ESTERS OF 2-DEOXY-MONOSACCHARIDES WITH ANTI PROLIFERATIVE ACTIVITY SLC2A2, SLC2A1, SLC2A4 TNF 3445/4885TACR2 4635/4885KLK7 1956/4885
US-11026960-B2 Esters of 2-deoxy-monosaccharides with anti proliferative activity SLC2A2, SLC2A1, SLC2A4 TNF 3445/4885TACR2 4635/4885KLK7 1956/4885
US-20160184336-A1 ESTERS OF 2-DEOXY-MONOSACHARIDES WITH ANTI PROLIFERATIVE ACTIVITY DERA, G6PD, HK2 TNF 3759/4885TACR2 4691/4885KLK7 1722/4885
US-20220023326-A1 ESTERS OF 2-DEOXY-MONOSACCHARIDES WITH ANTI PROLIFERATIVE ACTIVITY SLC2A2, SLC2A1, SLC2A4 TNF 3445/4885TACR2 4635/4885KLK7 1956/4885

“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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