SCHEMBL17867808

SCHEMBL17867808

CCCC(CCC)C(=O)O[C@H]1C[C@@H](O)[C@H](O)[C@@H](CO)O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ CHRM3 P20309 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ CHRNA4 P43681 1/20 0.41
▸ HTR3A P46098 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ SLC5A1 P13866 1/20 0.35
▸ PYGB P11216 3/20 0.33
▸ GAA P10253 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ LGALS8 O00214 3/20 0.32
▸ ATP1A1 P05023 1/20 0.32
▸ ATP1B1 P05026 1/20 0.32
▸ ATP1A3 P13637 1/20 0.32
▸ ATP1B2 P14415 1/20 0.32
▸ ATP1A2 P50993 1/20 0.32
▸ ATP1B3 P54709 1/20 0.32

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
SCHEMBL17880481 1.00 CHRM2 (0.41) CHRM2CHRM1CHRM3ADRA1ACHRNA4
SCHEMBL24225365 0.89 SLC5A1 (0.36) SMN1; SMN2SLC5A1PYGBGAAALDH1A1
SCHEMBL17867739 0.89 SLC5A1 (0.36) SMN1; SMN2SLC5A1PYGBGAAALDH1A1
SCHEMBL16155600 0.89 SLC5A1 (0.36) SMN1; SMN2SLC5A1PYGBGAAALDH1A1
SCHEMBL17867805 0.88 CHRM2 (0.40) CHRM2CHRM1CHRM3ADRA1ACHRNA4
SCHEMBL17880485 0.88 CHRM2 (0.40) CHRM2CHRM1CHRM3ADRA1ACHRNA4
SCHEMBL17867813 0.88 CHRM2 (0.40) CHRM2CHRM1CHRM3ADRA1ACHRNA4
SCHEMBL4451654 0.80 SLC5A1 (0.37) SLC5A1PYGBLGALS8ATP1A1ATP1B1
SCHEMBL3784319 0.80 SLC5A1 (0.37) SLC5A1PYGBLGALS8ATP1A1ATP1B1
SCHEMBL16148526 0.79 PYGB (0.41) SLC5A1PYGBGAALGALS8

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 CHRM2 3817/4885CHRM1 4360/4885CHRM3 4552/4885
US-11925654-B2 Esters of 2-deoxy-monosaccharides with anti proliferative activity SLC2A2, SLC2A1, SLC2A4 CHRM2 4395/4885CHRM1 4603/4885CHRM3 4704/4885
US-20190224225-A1 ESTERS OF 2-DEOXY-MONOSACCHARIDES WITH ANTI PROLIFERATIVE ACTIVITY SLC2A2, SLC2A1, SLC2A4 CHRM2 4395/4885CHRM1 4603/4885CHRM3 4704/4885
US-11026960-B2 Esters of 2-deoxy-monosaccharides with anti proliferative activity SLC2A2, SLC2A1, SLC2A4 CHRM2 4395/4885CHRM1 4603/4885CHRM3 4704/4885
US-20160184336-A1 ESTERS OF 2-DEOXY-MONOSACHARIDES WITH ANTI PROLIFERATIVE ACTIVITY DERA, G6PD, HK2 CHRM2 3817/4885CHRM1 4360/4885CHRM3 4552/4885
US-20220023326-A1 ESTERS OF 2-DEOXY-MONOSACCHARIDES WITH ANTI PROLIFERATIVE ACTIVITY SLC2A2, SLC2A1, SLC2A4 CHRM2 4395/4885CHRM1 4603/4885CHRM3 4704/4885

“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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