Thiamine Ion

Thiamine Ion

SCHEMBL219976

Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1.O=S(=O)(O)O.[Cl-]

nearest known ligand 0.89

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

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

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

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.87
▸ TDP1 Q9NUW8 1/20 0.65
▸ TKT P29401 11/20 0.62
▸ KDM4E B2RXH2 1/20 0.61
▸ LMNA P02545 1/20 0.61
▸ ALDH1A1 P00352 1/20 0.56

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
Thiamine Ion SCHEMBL16829706 0.99 HSP90AA1 (0.85) HSP90AA1TDP1TKTKDM4ELMNA
Thiamine Ion SCHEMBL16829707 0.98 HSP90AA1 (0.87) HSP90AA1TDP1TKTKDM4ELMNA
Thiamine Ion SCHEMBL29195374 0.98 HSP90AA1 (0.87) HSP90AA1TDP1TKTKDM4ELMNA
Thiamine Ion SCHEMBL27512143 0.96 HSP90AA1 (0.83) HSP90AA1TDP1TKTKDM4ELMNA
Thiamine Ion SCHEMBL27555400 0.96 HSP90AA1 (0.83) HSP90AA1TDP1TKTKDM4ELMNA
Thiamine Ion SCHEMBL23151788 0.95 HSP90AA1 (0.82) HSP90AA1TDP1TKTKDM4ELMNA
Thiamine Ion SCHEMBL28869571 0.95 HSP90AA1 (0.82) HSP90AA1TDP1TKTKDM4ELMNA
Thiamine Ion SCHEMBL4604194 0.95 HSP90AA1 (0.85) HSP90AA1TDP1TKTKDM4ELMNA
Thiamine Ion SCHEMBL7090274 0.94 HSP90AA1 (0.98) HSP90AA1TDP1TKTKDM4ELMNA
Thiamine Ion SCHEMBL29445547 0.94 HSP90AA1 (0.98) HSP90AA1TDP1TKTKDM4ELMNA

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 355 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119873874-A Monodisperse copper sulfide quantum dot and preparation method and application of nano composite material thereof 周口师范学院 2025-04-25 — — CN claimed
CN-116602408-B Microecological extract containing angelica keiskei koidzumi polypeptide, and preparation method and application thereof 深圳中科生物药业有限公司 2024-11-29 — — CN claimed
CN-118872777-A Chicken feed for improving vitamin D content of eggs and preparation method thereof 麦蛋(广州)农业食品有限公司 2024-11-01 — — CN claimed
CN-117756796-A Method for preparing thiamine nitrate or thiamine hydrochloride by direct oxidation of thiamine hydrochloride and application thereof 江苏兄弟维生素有限公司 2024-03-26 — — CN claimed
CN-117398387-A Use of thiamine or derivatives thereof against microgravity-induced cardiovascular diseases 苏州大学 2024-01-16 — — CN claimed
US-11834425-B2 Full continuous-flow preparation method of vitamin B1 FUDAN UNIVERSITY (CN) 2023-12-05 — — US claimed
CN-116602408-A Microecological extract containing angelica keiskei koidzumi polypeptide, and preparation method and application thereof 深圳中科生物药业有限公司 2023-08-18 — — CN claimed
CN-114181203-B Preparation method of thiamine hydrochloride, application and vitamin B1 江苏兄弟维生素有限公司 2023-08-18 — — CN claimed
CN-116478151-A Method for optimizing thiamine nitrate crystallization process 浙江工业大学 2023-07-25 — — CN claimed
CN-116283952-A Vitamin B 1 Is a fully continuous flow preparation method 复旦大学 2023-06-23 — — CN claimed
US-20230183196-A1 FULL CONTINUOUS-FLOW PREPARATION METHOD OF VITAMIN B1 FUDAN UNIVERSITY (CN) 2023-06-15 — — US claimed
CN-115428958-A Composite polypeptide powder and preparation method thereof 善元健康管理(大连)有限公司 2022-12-06 — — CN claimed
CN-114181203-A Preparation method of thiamine hydrochloride, application and vitamin B1 江苏兄弟维生素有限公司 2022-03-15 — — CN claimed
CN-112806437-A High-protein probiotic solid beverage and preparation method thereof 广州景腾医疗科技有限公司 2021-05-18 — — CN claimed
CN-111406950-A Composite polypeptide powder 北京大元藏宝堂健康管理有限公司 2020-07-14 — — CN claimed
CN-111004230-A Thiamine hydrochloride, its synthesis method and medicine 江苏兄弟维生素有限公司 2020-04-14 — — CN claimed
CN-110574686-A In-vitro cultivation method of Dendrobium Nanyue 永州职业技术学院 2019-12-17 — — CN claimed
JP-58023766-A — — None — — JP disclosed
EP-1043028-A1 METHOD FOR PREVENTING/REMEDYING MASTITIS KYOWA HAKKO KOGYO CO., LTD. (JP) 2000-10-11 — — EP disclosed
JP-S5823766-A COLORING OF MEAT OF ANIMAL, BIRD, OR FISH HARADA HIDEHIRO 1983-02-12 — — JP 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 (2 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-20230183196-A1 FULL CONTINUOUS-FLOW PREPARATION METHOD OF VITAMIN B1 SLC19A2, VKORC1, VKORC1L1 HSP90AA1 3116/4885TDP1 4866/4885TKT 860/4885
US-11834425-B2 Full continuous-flow preparation method of vitamin B1 SLC19A2, CYP2S1, CBS HSP90AA1 3137/4885TDP1 4551/4885TKT 111/4885

“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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