SCHEMBL389755

SCHEMBL389755

C=CCSSSSSSSCC=C

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.80
ALDH1A1 P00352 2/20 0.80
CYP3A4 P08684 2/20 0.80
HPGD P15428 2/20 0.80
ALOX15 P16050 1/20 0.67
ALOX5 P09917 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PTGS2 P35354 1/20 0.34
TERT O14746 1/20 0.32
MDM4 O15151 1/20 0.32
TP53 P04637 1/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
SLC25A21 Q9BQT8 1/20 0.32

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
SCHEMBL392677 1.00 TRPA1 (0.80) TRPA1ALDH1A1CYP3A4HPGDALOX15
SCHEMBL2987869 1.00 TRPA1 (0.80) TRPA1ALDH1A1CYP3A4HPGDALOX15
Diallyl Tetrasulfide SCHEMBL389609 0.96 TRPA1 (0.86) TRPA1ALDH1A1CYP3A4HPGDALOX15
Allitridin SCHEMBL562845 0.89
SCHEMBL2928674 0.86
SCHEMBL2931131 0.82
Diallyldisulfide SCHEMBL93944 0.81
Diallyldisulfide SCHEMBL18687005 0.81 TRPA1 (1.00) TRPA1ALDH1A1CYP3A4HPGDALOX15
Allitridin SCHEMBL3659060 0.78 TRPA1 (0.77) TRPA1ALDH1A1CYP3A4HPGDALOX15
SCHEMBL534079 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2086929-B1 ALLYLIC POLYSULFANES ECOSPRAY LTD (GB) 2016-03-30 EP disclosed
US-20150150770-A1 METHODS OF TREATING SKIN TRACIE MARTYN INTERNATIONAL INC (US) 2015-06-04 US disclosed
CN-101535247-B Allylic polysulfanes ECOSPRAY LTD 2015-01-28 CN disclosed
US-20140155961-A1 METHODS OF TREATING SKIN Tracie Martyn International, Inc. (US) 2014-06-05 US disclosed
US-8658833-B2 Garlic processing ECOSPRAY LIMITED (GB) 2014-02-25 US disclosed
US-8372446-B2 Avian feed composition BUREK SUSAN (US) 2013-02-12 US disclosed
EP-2079686-B1 GARLIC PROCESSING ECOSPRAY LTD (GB) 2013-01-02 EP disclosed
CN-101535246-B Garlic processing ECOSPRAY LTD 2012-12-12 CN disclosed
US-8101802-B2 Allylic polysulfanes ECOSPRAY LIMITED (GB) 2012-01-24 US disclosed
US-20100272790-A1 Methods of Treating Skin TRACIE MARTYN INTERNATIONAL, LLC (US) 2010-10-28 US disclosed
CN-101535247-A Allylic polysulfanes ECOSPRAY LTD (GB) 2009-09-16 CN disclosed
EP-2086929-A1 ALLYLIC POLYSULFANES Ecospray Limited (GB) 2009-08-12 EP disclosed
EP-2079686-A1 GARLIC PROCESSING Ecospray Limited (GB) 2009-07-22 EP disclosed
WO-2008059213-A1 GARLIC PROCESSING ECOSPRAY LIMITED (GB) 2008-05-22 WO disclosed
WO-2008059217-A1 ALLYLIC POLYSULFANES ECOSPRAY LIMITED (GB) 2008-05-22 WO disclosed
US-20060216251-A1 Topical formulations and methods of use TRACIE MARTYN INTERNATIONAL, LLC (US) 2006-09-28 US disclosed
EP-0464521-B1 Polysulfide compounds and lipid peroxidation inhibitor containing the polysulfide compounds as active ingredient WAKUNAGA SEIYAKU KK (JP) 1995-11-29 EP disclosed
US-5231114-A Polysulfides compounds and lipid peroxidation inhibitor containing the polysulfide compounds as active ingredient WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1993-07-27 US disclosed
US-5149879-A POLYSULFIDES COMPOUNDS AND LIPID PEROXIDATION INHIBITOR CONTAINING THE POLYSULFIDE COMPOUNDS AS ACTIVE INGREDIENT WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1992-09-22 US disclosed
EP-0464521-A2 Polysulfide compounds and lipid peroxidation inhibitor containing the polysulfide compounds as active ingredient WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1992-01-08 EP 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 (4 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-20140155961-A1 METHODS OF TREATING SKIN CUTA, LIPA, DLAT TRPA1 2318/4885ALDH1A1 920/4885CYP3A4 4745/4885
US-20100272790-A1 Methods of Treating Skin CUTA, LIPA, DLAT TRPA1 2318/4885ALDH1A1 920/4885CYP3A4 4745/4885
US-20150150770-A1 METHODS OF TREATING SKIN CUTA, LIPA, DLAT TRPA1 2318/4885ALDH1A1 920/4885CYP3A4 4745/4885
US-20060216251-A1 Topical formulations and methods of use CPT1B, SLC25A20, CPT1A TRPA1 2518/4885ALDH1A1 313/4885CYP3A4 4684/4885

“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.