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Betadex

Betadex

SCHEMBL30950731

COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1.OC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]1[C@H](O)[C@H]2O)O[C@@H]8CO)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO.OC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]1[C@H](O)[C@H]2O)O[C@@H]8CO)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO

nearest known ligand 0.71

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

PTGS1PTGS2

The experimentally established mechanism targets of Betadex. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 known ✓ P35354 7/20 0.71
▸ PTGS1 known ✓ P23219 4/20 0.71
▸ AKR1C3 P42330 7/20 0.71
▸ AKR1C2 P52895 6/20 0.71
▸ HIF1A Q16665 3/20 0.71
▸ ABCB1 P08183 2/20 0.71
▸ GLO1 Q04760 2/20 0.71
▸ AKR1C4 P17516 2/20 0.71
▸ AKR1C1 Q04828 2/20 0.71
▸ LMNA P02545 2/20 0.71
▸ CYP1A2 P05177 2/20 0.71
▸ CYP2D6 P10635 2/20 0.71
▸ CYP2C9 P11712 2/20 0.71
▸ NPSR1 Q6W5P4 2/20 0.71
▸ KDM4E B2RXH2 1/20 0.71
▸ MEN1 O00255 1/20 0.71
▸ PTGES O14684 1/20 0.71
▸ ABCC3 O15438 1/20 0.71
▸ ABCC4 O15439 1/20 0.71
▸ ABCB11 O95342 1/20 0.71

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
Betadex SCHEMBL11491489 1.00 AKR1C3 (0.71) AKR1C3PTGS2AKR1C2PTGS1HIF1A
Indomethacin SCHEMBL9300 0.84 PTGS2 (1.00) AKR1C3PTGS2AKR1C2PTGS1HIF1A
Indomethacin SCHEMBL29353712 0.84 PTGS2 (1.00) AKR1C3PTGS2AKR1C2PTGS1HIF1A
Indomethacin SCHEMBL29525957 0.84 PTGS2 (1.00) AKR1C3PTGS2AKR1C2PTGS1HIF1A
Indomethacin SCHEMBL3518614 0.84 PTGS2 (1.00) AKR1C3PTGS2AKR1C2PTGS1HIF1A
Indomethacin SCHEMBL28124710 0.84 AKR1C3 (0.69) AKR1C3PTGS2AKR1C2PTGS1HIF1A
Indomethacin SCHEMBL10489980 0.84 PTGS2 (0.94) AKR1C3PTGS2AKR1C2PTGS1HIF1A
Indomethacin SCHEMBL23632959 0.84 PTGS2 (0.98) AKR1C3PTGS2AKR1C2PTGS1HIF1A
Indomethacin SCHEMBL8352438 0.84 PTGS2 (0.98) AKR1C3PTGS2AKR1C2PTGS1HIF1A
Indomethacin SCHEMBL1817813 0.84 PTGS2 (0.98) AKR1C3PTGS2AKR1C2PTGS1HIF1A

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
EP-4705012-A1 HYBRID TRIBLOCK COPOLYMER MEMBRANE COMPOSITIONS AND METHODS FOR NANOPORE SEQUENCING F. Hoffmann-La Roche AG (CH) 2026-03-11 — — EP disclosed
EP-4705375-A1 MODIFIED TRIBLOCK COPOLYMER COMPOUNDS AND METHODS OF USE THEREOF F. Hoffmann-La Roche AG (CH) 2026-03-11 — — EP disclosed
WO-2025089727-A1 ELECTRONIC DEVICE AND METHOD FOR PERFORMING ANTIBIOTIC SUSCEPTIBILITY TEST OF MICROORGANISM 주식회사 프로티아 2025-05-01 — — WO disclosed
CN-119061040-A Method for efficiently constructing plasmid by using single-stranded DNA 中国科学院深圳先进技术研究院 2024-12-03 — — CN disclosed
WO-2024227837-A1 HYBRID TRIBLOCK COPOLYMER MEMBRANE COMPOSITIONS AND METHODS FOR NANOPORE SEQUENCING F. HOFFMANN-LA ROCHE AG (CH) 2024-11-07 — — WO disclosed
WO-2024227838-A1 MODIFIED TRIBLOCK COPOLYMER COMPOUNDS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2024-11-07 — — WO disclosed
CN-117868788-A Method for judging gas well water invasion condition based on water flooding curve and application 中国石油化工股份有限公司 2024-04-12 — — CN disclosed