SCHEMBL17867811

SCHEMBL17867811

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 1/20 0.43
▸ LGALS8 O00214 1/20 0.42
▸ TACR2 P21452 3/20 0.39
▸ PRKD3 O94806 1/20 0.39
▸ PRKCG P05129 1/20 0.39
▸ PRKCB P05771 1/20 0.39
▸ PRKCA P17252 1/20 0.39
▸ PRKCH P24723 1/20 0.39
▸ PRKCI P41743 1/20 0.39
▸ PRKCE Q02156 1/20 0.39
▸ PRKCQ Q04759 1/20 0.39
▸ PRKCZ Q05513 1/20 0.39
▸ PRKCD Q05655 1/20 0.39
▸ PRKD1 Q15139 1/20 0.39
▸ CA12 O43570 4/20 0.39
▸ CA1 P00915 4/20 0.39
▸ CA2 P00918 4/20 0.39
▸ CA9 Q16790 4/20 0.39
▸ CA14 Q9ULX7 4/20 0.39
▸ PTPN1 P18031 1/20 0.38

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
SCHEMBL17867793 0.84 TNF (0.46) TNFLGALS8TACR2CA12CA1
SCHEMBL17867736 0.82 TNF (0.44) TNFLGALS8TACR2CA12CA1
SCHEMBL17867797 0.82 TNF (0.39) TNFLGALS8TACR2PRKD3PRKCG
SCHEMBL17867795 0.82 TNF (0.39) TNFLGALS8TACR2PRKD3PRKCG
SCHEMBL17867740 0.80 TNF (0.42) TNFLGALS8TACR2PTPN1CDC25B
SCHEMBL17867807 0.78 TACR2 (0.41) TNFLGALS8TACR2CA1CA2
SCHEMBL16149252 0.78 PRKD3 (0.52) LGALS8PRKD3PRKCGPRKCBPRKCA
SCHEMBL16149014 0.76 TACR2 (0.48) TACR2PTPN1CDC25BNT5E
SCHEMBL3136372 0.74 TSHR (0.50) TNFTACR2PTPN1CDC25BNT5E
SCHEMBL20870237 0.74 TSHR (0.50) TNFTACR2PTPN1CDC25BNT5E

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 3759/4885LGALS8 881/4885TACR2 4691/4885
US-11925654-B2 Esters of 2-deoxy-monosaccharides with anti proliferative activity SLC2A2, SLC2A1, SLC2A4 TNF 3445/4885LGALS8 1075/4885TACR2 4635/4885
US-20190224225-A1 ESTERS OF 2-DEOXY-MONOSACCHARIDES WITH ANTI PROLIFERATIVE ACTIVITY SLC2A2, SLC2A1, SLC2A4 TNF 3445/4885LGALS8 1075/4885TACR2 4635/4885
US-11026960-B2 Esters of 2-deoxy-monosaccharides with anti proliferative activity SLC2A2, SLC2A1, SLC2A4 TNF 3445/4885LGALS8 1075/4885TACR2 4635/4885
US-20160184336-A1 ESTERS OF 2-DEOXY-MONOSACHARIDES WITH ANTI PROLIFERATIVE ACTIVITY DERA, G6PD, HK2 TNF 3759/4885LGALS8 881/4885TACR2 4691/4885
US-20220023326-A1 ESTERS OF 2-DEOXY-MONOSACCHARIDES WITH ANTI PROLIFERATIVE ACTIVITY SLC2A2, SLC2A1, SLC2A4 TNF 3445/4885LGALS8 1075/4885TACR2 4635/4885

“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.

Send feedback