Monophosphothiamine

Monophosphothiamine

SCHEMBL399485

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

nearest known ligand 0.96

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Monophosphothiamine. 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
▸ TDP1 Q9NUW8 1/20 0.96
▸ TKT P29401 9/20 0.82
▸ LMNA P02545 1/20 0.82
▸ HSP90AA1 P07900 1/20 0.67
▸ ALDH1A1 P00352 2/20 0.59
▸ KDM4E B2RXH2 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
Monophosphothiamine SCHEMBL29733068 0.99 TDP1 (0.98) TDP1TKTLMNAHSP90AA1ALDH1A1
Monophosphothiamine SCHEMBL94443 0.99 TDP1 (0.98) TDP1TKTLMNAHSP90AA1ALDH1A1
Monophosphothiamine SCHEMBL3681710 0.98 TDP1 (0.96) TDP1TKTLMNAHSP90AA1ALDH1A1
Monophosphothiamine SCHEMBL642271 0.98 TDP1 (0.96) TDP1TKTLMNAHSP90AA1ALDH1A1
Monophosphothiamine SCHEMBL9159014 0.98 TDP1 (0.96) TDP1TKTLMNAHSP90AA1ALDH1A1
Monophosphothiamine SCHEMBL23151818 0.98 TDP1 (0.96) TDP1TKTLMNAHSP90AA1ALDH1A1
Monophosphothiamine SCHEMBL17768676 0.98 TDP1 (0.96) TDP1TKTLMNAHSP90AA1ALDH1A1
Monophosphothiamine SCHEMBL29373566 0.98 TDP1 (1.00) TDP1TKTLMNAHSP90AA1ALDH1A1
Monophosphothiamine SCHEMBL94444 0.98 TDP1 (1.00) TDP1TKTLMNAHSP90AA1ALDH1A1
Monophosphothiamine SCHEMBL4302184 0.97 TDP1 (0.94) TDP1TKTLMNAHSP90AA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080234380-A1 Compositions and method for treatment of chronic inflammatory diseases SHAPIRO HOWARD K 2008-09-25 — — US claimed
US-20050090553-A1 Compositions and method for treatment of chronic inflammatory diseases SECANT PHARMA, LLC 2005-04-28 — — US claimed
US-6746678-B1 Method of treating neurological diseases and etiologically related symptomology using carbonyl trapping agents in combination with medicaments SECANT PHARMA, LLC 2004-06-08 — — US claimed
EP-0558960-A1 Medicament for the prophylaxis and treatment of the neurologic and psychiatric disorders caused by alcohol abuse, which contains thiamine, folic acid and cobalamine WÖRWAG PHARMA GmbH (DE) 1993-09-08 — — EP claimed
US-12263198-B1 Compositions and methods of improving ruminant performance RALCO NUTRITION, INC. (US) 2025-04-01 — — US disclosed
CN-117545459-A Cleaning composition and method for producing same 日本乐敦制药株式会社 2024-02-09 — — CN disclosed
CN-116870157-A Composition for improving skin disorders 日本乐敦制药株式会社 2023-10-13 — — CN disclosed
CN-116685305-A Cleaning composition 日本乐敦制药株式会社 2023-09-01 — — CN disclosed
WO-2023017790-A1 CLEANING COMPOSITION AND PRODUCTION METHOD FOR SAME ロート製薬株式会社 2023-02-16 — — WO disclosed
CN-111107831-B Composition for supplementing the taste of young women 日本乐敦制药株式会社 2022-11-25 — — CN disclosed
US-11286212-B2 Foliar fertilizer compositions and methods for using same YAMASHITA THOMAS T (US) 2022-03-29 — — US disclosed
CN-113164799-A Composition comprising ethers synthesized from fatty alcohols and glycerol 日本乐敦制药株式会社 2021-07-23 — — CN disclosed
EP-0544759-A1 DETOXIFICATION OF SOIL. YAMASHITA THOMAS T (US) 1993-06-09 — — EP disclosed
EP-0514451-A1 DIETARY SUPPLEMENTS COMPRISING VITAMINS AND MINERALS. UNIV TEXAS (US) 1992-11-25 — — EP disclosed
WO-1992003393-A1 DETOXIFICATION OF SOIL YAMASHITA THOMAS T (US) 1992-03-05 — — WO disclosed
EP-0433394-A4 METHOD OF APPLYING ENERGY, CARBON SKELETON AND NUTRIENT MATERIALSTO VEGETATION — 1991-09-25 — — EP disclosed
WO-1991013844-A1 METHOD AND COMPOSITION FOR PROMOTING AND CONTROLLING GROWTH OF PLANTS YAMASHITA THOMAS T (US) 1991-09-19 — — WO disclosed
WO-1991011117-A2 DIETARY SUPPLEMENTS COMPRISING VITAMINS AND MINERALS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1991-08-08 — — WO disclosed
EP-0433394-A1 METHOD OF APPLYING ENERGY, CARBON SKELETON AND NUTRIENT MATERIALSTO VEGETATION. YAMASHITA THOMAS T (US) 1991-06-26 — — EP disclosed
WO-1990002719-A1 METHOD OF APPLYING ENERGY, CARBON SKELETON AND NUTRIENT MATERIALSTO VEGETATION YAMASHITA THOMAS T (US) 1990-03-22 — — WO 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-20050090553-A1 Compositions and method for treatment of chronic inflammatory diseases PCCA, HMGB1, PTGES TDP1 3154/4885TKT 501/4885LMNA 1677/4885
US-20080234380-A1 Compositions and method for treatment of chronic inflammatory diseases HMGB1, PCCA, QSOX1 TDP1 3346/4885TKT 531/4885LMNA 1646/4885

“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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