SCHEMBL17867738

SCHEMBL17867738

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

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.33
▸ NLRP3 Q96P20 1/20 0.32
▸ NR3C1 P04150 1/20 0.31
▸ FYN P06241 1/20 0.31
▸ ADRA2A P08913 1/20 0.31
▸ ADORA3 P0DMS8 1/20 0.31
▸ ADRA2B P18089 1/20 0.31
▸ DRD4 P21917 1/20 0.31
▸ DRD3 P35462 1/20 0.31
▸ CA12 O43570 2/20 0.30
▸ CA1 P00915 2/20 0.30
▸ CA2 P00918 2/20 0.30
▸ CA9 Q16790 2/20 0.30

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
SCHEMBL17867789 1.00 ALDH1A1 (0.33) ALDH1A1NLRP3NR3C1FYNADRA2A
SCHEMBL16155661 1.00 ALDH1A1 (0.33) ALDH1A1NLRP3NR3C1FYNADRA2A
SCHEMBL17867809 0.89 CHRM2 (0.40) —
SCHEMBL17880487 0.89 CHRM2 (0.40) —
SCHEMBL24201492 0.88 ALDH1A1 (0.32) ALDH1A1NR3C1FYNADRA2AADORA3
SCHEMBL20725199 0.88 ALDH1A1 (0.32) ALDH1A1NR3C1FYNADRA2AADORA3
SCHEMBL21183335 0.84 NLRP3 (0.32) ALDH1A1NLRP3
SCHEMBL24201362 0.84 CA12 (0.35) ALDH1A1NLRP3CA12CA1CA2
SCHEMBL16155597 0.84 ALDH1A1 (0.35) ALDH1A1
SCHEMBL16155658 0.81 ALDH1A1 (0.33) ALDH1A1

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 ALDH1A1 484/4885NLRP3 4873/4885NR3C1 2904/4885
US-11925654-B2 Esters of 2-deoxy-monosaccharides with anti proliferative activity SLC2A2, SLC2A1, SLC2A4 ALDH1A1 375/4885NLRP3 4884/4885NR3C1 2763/4885
US-20190224225-A1 ESTERS OF 2-DEOXY-MONOSACCHARIDES WITH ANTI PROLIFERATIVE ACTIVITY SLC2A2, SLC2A1, SLC2A4 ALDH1A1 375/4885NLRP3 4884/4885NR3C1 2763/4885
US-11026960-B2 Esters of 2-deoxy-monosaccharides with anti proliferative activity SLC2A2, SLC2A1, SLC2A4 ALDH1A1 375/4885NLRP3 4884/4885NR3C1 2763/4885
US-20160184336-A1 ESTERS OF 2-DEOXY-MONOSACHARIDES WITH ANTI PROLIFERATIVE ACTIVITY DERA, G6PD, HK2 ALDH1A1 484/4885NLRP3 4873/4885NR3C1 2904/4885
US-20220023326-A1 ESTERS OF 2-DEOXY-MONOSACCHARIDES WITH ANTI PROLIFERATIVE ACTIVITY SLC2A2, SLC2A1, SLC2A4 ALDH1A1 375/4885NLRP3 4884/4885NR3C1 2763/4885

“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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