Disulfiram

Disulfiram

SCHEMBL4654748

CCN(CC)C(=S)SSC(=S)N(CC)CC.CCN(CC)C(=S)SSC(=S)N(CC)CC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ALDH2

The experimentally established mechanism targets of Disulfiram. 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
▸ ALDH2 known ✓ P05091 7/20 1.00
▸ ALDH1A1 P00352 10/20 1.00
▸ MGLL Q99685 7/20 1.00
▸ EHMT2 Q96KQ7 4/20 1.00
▸ EHMT1 Q9H9B1 4/20 1.00
▸ PHGDH O43175 3/20 1.00
▸ CYP3A4 P08684 3/20 1.00
▸ HTT P42858 3/20 1.00
▸ ABCB11 O95342 2/20 1.00
▸ GSDMD P57764 2/20 1.00
▸ LMNA P02545 2/20 1.00
▸ TP53 P04637 2/20 1.00
▸ HSP90AA1 P07900 2/20 1.00
▸ FBP1 P09467 2/20 1.00
▸ MAPT P10636 2/20 1.00
▸ PKM P14618 2/20 1.00
▸ HPGD P15428 2/20 1.00
▸ ALOX15 P16050 2/20 1.00
▸ ALOX12 P18054 2/20 1.00
▸ LOX P28300 2/20 1.00

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
Disulfiram SCHEMBL27213 1.00 ALDH1A1 (1.00) ALDH1A1ALDH2MGLLEHMT2EHMT1
Disulfiram SCHEMBL11155542 0.97 ALDH1A1 (0.94) ALDH1A1ALDH2MGLLEHMT2EHMT1
Disulfiram SCHEMBL28074264 0.97 ALDH1A1 (0.94) ALDH1A1ALDH2MGLLEHMT2EHMT1
Disulfiram SCHEMBL5364281 0.97 ALDH1A1 (0.94) ALDH1A1ALDH2MGLLEHMT2EHMT1
Disulfiram SCHEMBL10886601 0.97 ALDH1A1 (0.94) ALDH1A1ALDH2MGLLEHMT2EHMT1
Disulfiram SCHEMBL31719635 0.97 ALDH1A1 (0.94) ALDH1A1ALDH2MGLLEHMT2EHMT1
Disulfiram SCHEMBL28246322 0.97 ALDH1A1 (0.94) ALDH1A1ALDH2MGLLEHMT2EHMT1
Disulfiram SCHEMBL5961375 0.97 ALDH1A1 (0.94) ALDH1A1ALDH2MGLLEHMT2EHMT1
Disulfiram SCHEMBL4734237 0.94 ALDH1A1 (0.89) ALDH1A1ALDH2MGLLEHMT2EHMT1
Disulfiram SCHEMBL10542872 0.94 ALDH1A1 (0.89) ALDH1A1ALDH2MGLLEHMT2EHMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11786490-B2 Combination treatments for opioid crisis PRESTI MICHAEL (US) 2023-10-17 — — US disclosed
US-11773238-B2 Accelerator for the vulcanization of rubbery polymers THE GOODYEAR TIRE & RUBBER COMPANY (US) 2023-10-03 — — US disclosed
US-11685712-B2 Synthesis of monofunctional thiuram accelerator THE GOODYEAR TIRE & RUBBER COMPANY (US) 2023-06-27 — — US disclosed
US-20230029068-A1 SYNTHESIS OF MONOFUNCTIONAL THIURAM ACCELERATOR THE GOODYEAR TIRE & RUBBER COMPANY 2023-01-26 — — US disclosed
CN-113121395-A Synthesis of monofunctional thiuram accelerators 固特异轮胎和橡胶公司 2021-07-16 — — CN disclosed
EP-3845520-A1 SYNTHESIS OF MONOFUNCTIONAL THIURAM ACCELERATOR The Goodyear Tire & Rubber Company (US) 2021-07-07 — — EP disclosed
US-20210198194-A1 SYNTHESIS OF MONOFUNCTIONAL THIURAM ACCELERATOR THE GOODYEAR TIRE & RUBBER COMPANY 2021-07-01 — — US disclosed
US-20210161835-A1 Combination Treatments for Opioid Crisis PRESTI MICHAEL (US) 2021-06-03 — — US disclosed
WO-2021015300-A1 AGENT FOR TREATING, PREVENTING OR IMPROVING PSYCHIATRIC AND NERVOUS SYSTEM DISORDERS OR SYMPTOMS 学校法人東京理科大学 2021-01-28 — — WO disclosed
WO-2020054821-A1 DISULFIRAM-CONTAINING ACTIVITY INHIBITOR FOR GROUP 2 INNATE LYMPHOID CELL (ILC2) 学校法人慶應義塾 2020-03-19 — — WO disclosed
US-20050096304-A1 Method of treating cancer using dithiocarbamate derivatives WATER STREET HEALTHCARE PARTNERS II L.P. 2005-05-05 — — US disclosed
WO-2005009338-A2 METHOD OF INHIBITING ATF/CREB AND CANCER CELL GROWTH AND PHARMACEUTICAL COMPOSITIONS FOR SAME CHARLOTTE-MECKLENBURG HOSPITAL AUTHORITY D/B/A/ CAROLINAS MEDICAL CENTER (US) 2005-02-03 — — WO disclosed
US-20040171678-A1 Method of treating cancer using dithiocarbamate derivatives CHARLOTTE-MECKLENBURG HOSPITAL AUTHORITY D/B/A CAROLINAS MEDICAL CENTER 2004-09-02 — — US disclosed
US-6706759-B1 SENSITIZING TUMORS TO CONVENTIONAL CANCER CHEMOTHERAPY BY BLOCKING THE P-GLYCOPROTEIN MEMBRANE TOXIN EXTRUSION PUMP AND FOR SENSITIZING AIDS PATIENTS TO ANTI-RETROVIRAL THERAPY BY BLOCKING THE P-GLYCOPROTEIN MEMBRANE TOXIN EXTRUSION PUMP CHARLOTTE-MECKLENBURG HOSPITAL AUTHORITY 2004-03-16 — — US disclosed
US-20040019102-A1 Method of inhibiting ATF/CREB and cancer cell growth and pharmaceutical compositions for same CHARLOTTE-MECKLENBURG HOSPITAL AUTHORITY D/B/A CAROLINAS MEDICAL CENTER 2004-01-29 — — US disclosed
US-20030229064-A1 Method of treating cancer using dithiocarbamate derivatives CHARLOTTE-MECKLENBURG HOSPITAL AUTHORITY D/B/A CAROLINAS MEDICAL CENTER 2003-12-11 — — US disclosed
EP-1328267-A2 METHOD OF TREATING CANCER USING DITHIOCARBAMATE DERIVATIVES Charlotte-Mecklenburg Hospital Authority doing business as Carolinas Medical Center (US) 2003-07-23 — — EP disclosed
US-6548540-B2 Administering dithiocarbamate thiolate anions to sensitize humans to conventional chemotherapy by blocking the p-glycoprotein membrane toxin extrusion pump CHARLOTTE-MECKLENBURG HOSPITAL AUTHORITY 2003-04-15 — — US disclosed
WO-2002028349-A2 METHOD OF TREATING CANCER USING DITHIOCARBAMATE DERIVATIVES CHARLOTTE-MECKLENBURG HOSPITAL AUTHORITY, DOING BUSINESS AS CAROLINAS MEDICAL CENTER (US) 2002-04-11 — — WO disclosed
US-20010016600-A1 Method of treating cancer using dithiocarbamate derivatives THE UNIVERSITY OF UTAH 2001-08-23 — — 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 (8 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-20050096304-A1 Method of treating cancer using dithiocarbamate derivatives SLC47A1, SLC47A2, ABCC1 ALDH2 920/4885ALDH1A1 2489/4885MGLL 2686/4885
US-20030229064-A1 Method of treating cancer using dithiocarbamate derivatives TST, HCCS, SERPINC1 ALDH2 263/4885ALDH1A1 1338/4885MGLL 4162/4885
US-20010016600-A1 Method of treating cancer using dithiocarbamate derivatives TST, HCCS, SERPINC1 ALDH2 263/4885ALDH1A1 1338/4885MGLL 4162/4885
US-20230029068-A1 SYNTHESIS OF MONOFUNCTIONAL THIURAM ACCELERATOR TST, TERT, MGMT ALDH2 632/4885ALDH1A1 868/4885MGLL 2630/4885
US-20040171678-A1 Method of treating cancer using dithiocarbamate derivatives TST, HCCS, SERPINC1 ALDH2 263/4885ALDH1A1 1338/4885MGLL 4162/4885
US-20040019102-A1 Method of inhibiting ATF/CREB and cancer cell growth and pharmaceutical compositions for same ATF4, ATF1, CREBBP ALDH2 48/4885ALDH1A1 92/4885MGLL 2681/4885
US-11685712-B2 Synthesis of monofunctional thiuram accelerator TST, TERT, MGMT ALDH2 632/4885ALDH1A1 868/4885MGLL 2630/4885
US-20210198194-A1 SYNTHESIS OF MONOFUNCTIONAL THIURAM ACCELERATOR TST, TERT, MGMT ALDH2 632/4885ALDH1A1 868/4885MGLL 2630/4885

“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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