Monophosphothiamine

Monophosphothiamine

SCHEMBL642271

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

nearest known ligand 0.96

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

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 SCHEMBL399485 0.98 TDP1 (0.96) TDP1TKTLMNAHSP90AA1ALDH1A1
Monophosphothiamine SCHEMBL3681710 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 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5443834-A Thiamine mixed with beef tallow, coconut oil, perfume and glycerin FUJI SANGYO KAISHA, LTD. (JP) 1995-08-22 — — US claimed
EP-0503852-A1 Soap compounded with vitamin B1-containing garlic extract TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-09-16 — — EP claimed
JP-58021618-A — — None — — JP disclosed
JP-11060487-A — — None — — JP disclosed
WO-2025074120-A1 NANOPARTICLES FOR EXTENDED RELEASE DRUG DELIVERY IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2025-04-10 — — WO disclosed
US-11564924-B2 Pharmaceutical composition formed by combining pyridoxamine compound and thiamine compound RENASCIENCE CO., LTD. (JP) 2023-01-31 — — US disclosed
US-11253519-B2 Composition used to improve symptoms of autism spectrum disorder, and method using same for improving symptoms of autism spectrum disorder RENASCIENCE CO., LTD. (JP) 2022-02-22 — — US disclosed
US-20210000829-A1 PHARMACEUTICAL COMPOSITION FORMED BY COMBINING PYRIDOXAMINE COMPOUND AND THIAMINE COMPOUND RENASCIENCE CO., LTD. (JP) 2021-01-07 — — US disclosed
US-20200368233-A1 COMPOSITION USED TO IMPROVE SYMPTOMS OF AUTISM SPECTRUM DISORDER, AND METHOD USING SAME FOR IMPROVING SYMPTOMS OF AUTISM SPECTRUM DISORDER RENASCIENCE CO., LTD. (JP) 2020-11-26 — — US disclosed
US-20190053988-A1 METHOD FOR PRODUCING CELLULOSE FIBERS SUITABLE FOR USE IN A THICKENING COMPOSITION, METHOD FOR PRODUCING A THICKENING COMPOSITION, AND METHOD FOR THICKENING A COMPOSITION NISSAN CHEMICAL IND LTD (JP) 2019-02-21 — — US disclosed
EP-3424501-A1 COMPOSITION USED TO IMPROVE SYMPTOMS OF AUTISM SPECTRUM DISORDER, AND METHOD USING SAME FOR IMPROVING SYMPTOMS OF AUTISM SPECTRUM DISORDER Tohoku University (JP) 2019-01-09 — — EP disclosed
EP-1262173-B1 Oral intake solution comprising reduced water NIHON TRIM CO LTD (JP) 2004-08-11 — — EP disclosed
US-20030045502-A1 Oral intake solution NIHON TRIM CO., LTD. (JP) 2003-03-06 — — US disclosed
EP-1262173-A1 Oral intake solution comprising reduced water Nihon Trim Co. Limited (JP) 2002-12-04 — — EP disclosed
US-20020099032-A1 Preparations and method of producing the same ROHTO PHARMACEUTICAL CO., LTD. (JP) 2002-07-25 — — US disclosed
CN-1258503-A Vitamine preparation TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-07-05 — — CN disclosed
JP-H1160487-A VITAMIN B1 DERIVATIVE-FORMULATED SOLUTION TAISHO PHARMACEUT CO LTD 1999-03-02 — — JP disclosed
US-5443834-A Thiamine mixed with beef tallow, coconut oil, perfume and glycerin FUJI SANGYO KAISHA, LTD. (JP) 1995-08-22 — — US disclosed
EP-0503852-A1 Soap compounded with vitamin B1-containing garlic extract TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-09-16 — — EP disclosed
JP-S5821618-A IMMUNOREGULATOR COMPOSED OF VITAMIN B COMPOSITION SANKYO CO LTD 1983-02-08 — — 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-20210000829-A1 PHARMACEUTICAL COMPOSITION FORMED BY COMBINING PYRIDOXAMINE COMPOUND AND THIAMINE COMPOUND SLC19A2, PLPBP, PNPO TDP1 2163/4885TKT 19/4885LMNA 1955/4885
US-11564924-B2 Pharmaceutical composition formed by combining pyridoxamine compound and thiamine compound SLC19A2, PLPBP, PNPO TDP1 2163/4885TKT 19/4885LMNA 1955/4885

“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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