SCHEMBL502740

SCHEMBL502740

[CH2]CCCCCNC(=S)S

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.46
CYP2C9 P11712 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
CYP2C19 P33261 1/20 0.46
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA12 O43570 2/20 0.35
CA9 Q16790 2/20 0.35
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
HIF1A Q16665 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL9806448 1.00 HSD17B10 (0.46) HSD17B10CYP2C9ALDH1A1HPGDALOX15
SCHEMBL11723408 1.00 HSD17B10 (0.46) HSD17B10CYP2C9ALDH1A1HPGDALOX15
SCHEMBL468535 0.98
SCHEMBL11715929 0.95 HSD17B10 (0.46) HSD17B10CYP2C9ALDH1A1HPGDALOX15
SCHEMBL9131234 0.90
SCHEMBL9019642 0.87 HSD17B10 (0.57) HSD17B10CYP2C9ALDH1A1HPGDALOX15
SCHEMBL28417890 0.87 HSD17B10 (0.57) HSD17B10CYP2C9ALDH1A1HPGDALOX15
SCHEMBL9198996 0.84 ALDH1A1 (0.60) HSD17B10CYP2C9ALDH1A1HPGDALOX15
SCHEMBL27526716 0.79 HSD17B10 (0.60) HSD17B10CYP2C9ALDH1A1HPGDALOX15
SCHEMBL4560478 0.78 HSD17B10 (0.48) HSD17B10CYP2C9ALDH1A1HPGDALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3311843-A1 COMPOSITIONS COMPRISING DITHIOCARBAMATE AND CYCLODEXTRIN Deutsches Krebsforschungszentrum Stiftung des Öffentlichen Rechts (DE) 2018-04-25 EP claimed
US-20140220152-A1 Compositions and Methods for Detecting, Treating, or Preventing Reductive Stress UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2014-08-07 US claimed
US-20070232692-A1 Method of Treating Cancer Using Dithiocarbamate Derivatives THE UNIVERSITY OF UTAH 2007-10-04 US claimed
EP-3311843-A1 COMPOSITIONS COMPRISING DITHIOCARBAMATE AND CYCLODEXTRIN Deutsches Krebsforschungszentrum Stiftung des Öffentlichen Rechts (DE) 2018-04-25 EP disclosed
US-20140220152-A1 Compositions and Methods for Detecting, Treating, or Preventing Reductive Stress UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2014-08-07 US disclosed
US-20120030779-A1 COMPOSITIONS AND METHODS FOR DETECTING, TREATING, OR PREVENTING REDUCTIVE STRESS UNIVERSITY OF UTAH RESEARCH FOUNDTION (UT) 2012-02-02 US disclosed
US-20110206756-A1 DITHIOCARBAMATE METAL CHELATES AND METHODS OF MAKING AND USING THEREOF UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2011-08-25 US disclosed
CN-102026625-A Dithiocarbamate metal chelates and methods of making and using thereof UNIV UTAH RES FOUND 2011-04-20 CN disclosed
EP-2265256-A1 DITHIOCARBAMATE METAL CHELATES AND METHODS OF MAKING AND USING THEREOF University of Utah Research Foundation (US) 2010-12-29 EP disclosed
US-7816403-B2 Method of inhibiting ATF/CREB and cancer cell growth and pharmaceutical compositions for same UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2010-10-19 US disclosed
WO-2009117333-A1 DITHIOCARBAMATE METAL CHELATES AND METHODS OF MAKING AND USING THEREOF UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2009-09-24 WO 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-6589987-B2 Dithiocarbamate, particularly tetraethylthiuram disulfide strongly inhibits the growth of cancer cells of a variety of cell types. Such inhibitory effect is enhanced by heavy metal ions such as copper ions, cytokines and ceruloplasmin and CHARLOTTE-MECKLENBURG HOSPITAL AUTHORITY 2003-07-08 US 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
US-20030065026-A1 METHOD OF TREATING CANCER USING TETRAETHYL THIURAM DISULFIDE UNIVERSITY OF UTAH RESEARCH FOUNDATION 2003-04-03 US disclosed
EP-1214063-A1 METHOD OF TREATING CANCER USING TETRAETHYL THIURAM DISULFIDE Charlotte-Mecklenburg Hospital Authority doing business as Carolinas Medical Center (US) 2002-06-19 EP 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
WO-2001017522-A1 METHOD OF TREATING CANCER USING TETRAETHYL THIURAM DISULFIDE CHARLOTTE-MECKLENBURG HOSPITAL AUTHORITY DOING BUSINESS AS CAROLINAS MEDICAL CENTER (US) 2001-03-15 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 (7 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-20030065026-A1 METHOD OF TREATING CANCER USING TETRAETHYL THIURAM DISULFIDE TST, TTPA, THPO HSD17B10 2536/4885CYP2C9 3280/4885ALDH1A1 1100/4885
US-20110206756-A1 DITHIOCARBAMATE METAL CHELATES AND METHODS OF MAKING AND USING THEREOF DLST, DLAT, TTPA HSD17B10 2704/4885CYP2C9 4583/4885ALDH1A1 3694/4885
US-20030229064-A1 Method of treating cancer using dithiocarbamate derivatives TST, HCCS, SERPINC1 HSD17B10 2110/4885CYP2C9 3214/4885ALDH1A1 1338/4885
US-20120030779-A1 COMPOSITIONS AND METHODS FOR DETECTING, TREATING, OR PREVENTING REDUCTIVE STRESS TNNC1, TNNI3, HSPA5 HSD17B10 1515/4885CYP2C9 3643/4885ALDH1A1 2412/4885
US-20010016600-A1 Method of treating cancer using dithiocarbamate derivatives TST, HCCS, SERPINC1 HSD17B10 2110/4885CYP2C9 3214/4885ALDH1A1 1338/4885
US-20140220152-A1 Compositions and Methods for Detecting, Treating, or Preventing Reductive Stress TNNC1, TNNI3, TXN2 HSD17B10 1082/4885CYP2C9 3328/4885ALDH1A1 1197/4885
US-20070232692-A1 Method of Treating Cancer Using Dithiocarbamate Derivatives TST, HCCS, SERPINC1 HSD17B10 1845/4885CYP2C9 3187/4885ALDH1A1 1236/4885

“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.