SCHEMBL2223617

SCHEMBL2223617

C=CCSSC[C@H](NC(C)=O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
ALOX15 P16050 2/20 0.47
KDM4E B2RXH2 1/20 0.47
THRB P10828 1/20 0.47
NFKB1 P19838 1/20 0.47
PTGS2 P35354 1/20 0.47
THPO P40225 1/20 0.47
RECQL P46063 1/20 0.47
BLM P54132 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 3/20 0.47
ITGB1 P05556 3/20 0.40
ITGA4 P13612 3/20 0.40
ICMT O60725 1/20 0.38
TRPA1 O75762 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
GNPAT O15228 1/20 0.37
TGFBR1 P36897 1/20 0.36
PRNP P04156 1/20 0.35

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
SCHEMBL12442318 1.00 MAPT (0.47) MAPTALOX15KDM4ETHRBNFKB1
SCHEMBL308083 0.87 MAPT (0.59) MAPTALOX15KDM4ETHRBNFKB1
SCHEMBL308082 0.87 MAPT (0.59) MAPTALOX15KDM4ETHRBNFKB1
SCHEMBL25329304 0.87 MAPT (0.59) MAPTALOX15KDM4ETHRBNFKB1
SCHEMBL2140974 0.87 MAPT (0.59) MAPTALOX15KDM4ETHRBNFKB1
SCHEMBL24067699 0.87 MAPT (0.59) MAPTALOX15KDM4ETHRBNFKB1
SCHEMBL4668974 0.86 MAPT (0.57) MAPTALOX15KDM4ETHRBNFKB1
SCHEMBL4668975 0.86 MAPT (0.57) MAPTALOX15KDM4ETHRBNFKB1
Water SCHEMBL8124987 0.85 MAPT (0.57) MAPTALOX15KDM4ETHRBNFKB1
SCHEMBL25340359 0.85 MAPT (0.57) MAPTALOX15KDM4ETHRBNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130165515-A1 Organosulfur Compounds for the Prevention and Treatment of Neurodegenerative Diseases ALLIUM VITALIS INC. 2013-06-27 US claimed
US-20130143967-A1 Organosulfur compounds for the prevention and treatment of neurodegenerative diseases ALLIUM VITALIS INC. 2013-06-06 US claimed
US-8455552-B2 Composition comprising S-allylmercapto-N-acetylcysteine (ASSNAC) for up-regulation of cellular glutathione level Ramot et Tel Aviv University Ltd. (IL) 2013-06-04 US claimed
US-20120295977-A1 Organosulfur prodrugs for the prevention and treatment of infectious diseases OTT DAVID M (US) 2012-11-22 US claimed
EP-2139465-B1 COMPOSITION COMPRISING S-ALLYLMERCAPTO-N-ACETYLCYSTEINE (ASSNAC) FOR UP-REGULATION OF CELLULAR GLUTATHIONE LEVEL UNIV RAMOT (IL) 2012-09-26 EP claimed
US-20110178152-A1 COMPOSITION COMPRISING S-ALLYLMERCAPTO-N-ACETYLCYSTEINE (ASSNAC) FOR UP-REGULATION OF CELLULAR GLUTATHIONE LEVEL RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2011-07-21 US claimed
EP-2139465-A1 COMPOSITION COMPRISING S-ALLYLMERCAPTO-N-ACETYLCYSTEINE (ASSNAC) FOR UP-REGULATION OF CELLULAR GLUTATHIONE LEVEL Ramot at Tel-Aviv University Ltd. (IL) 2010-01-06 EP claimed
WO-2008135984-A1 COMPOSITION COMPRISING S-ALLYLMERCAPTO-N-ACETYLCYSTEINE (ASSNAC) FOR UP-REGULATION OF CELLULAR GLUTATHIONE LEVEL RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2008-11-13 WO claimed
US-10758498-B2 Method of decreasing protein-aldehyde adducts by administering a mixed disulfide of n-acetylcysteine and propyl mercaptan, propenyl mercaptan, or allyl mercaptan SOCTRONICS TECHNOLOGIES PRIVATE LIMITED (IN) 2020-09-01 US disclosed
US-10758498-B2 Method of decreasing protein-aldehyde adducts by administering a mixed disulfide of n-acetylcysteine and propyl mercaptan, propenyl mercaptan, or allyl mercaptan SOCTRONICS TECHNOLOGIES PRIVATE LIMITED (IN) 2020-09-01 US disclosed
US-10258581-B2 Organosulfur compounds for the prevention and treatment of neurodegenerative diseases OTT DAVID MICHAEL (US) 2019-04-16 US disclosed
US-10258581-B2 Organosulfur compounds for the prevention and treatment of neurodegenerative diseases OTT DAVID MICHAEL (US) 2019-04-16 US disclosed
US-20190076377-A1 ORGANOSULFUR COMPOUNDS FOR THE PREVENTION AND TREATMENT OF NEURODEGENERATIVE DISEASES SOCTRONICS TECHNOLOGIES PRIVATE LIMITED (IN) 2019-03-14 US disclosed
US-20190076377-A1 ORGANOSULFUR COMPOUNDS FOR THE PREVENTION AND TREATMENT OF NEURODEGENERATIVE DISEASES SOCTRONICS TECHNOLOGIES PRIVATE LIMITED (IN) 2019-03-14 US disclosed
US-20110178152-A1 COMPOSITION COMPRISING S-ALLYLMERCAPTO-N-ACETYLCYSTEINE (ASSNAC) FOR UP-REGULATION OF CELLULAR GLUTATHIONE LEVEL RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2011-07-21 US disclosed
US-20110178152-A1 COMPOSITION COMPRISING S-ALLYLMERCAPTO-N-ACETYLCYSTEINE (ASSNAC) FOR UP-REGULATION OF CELLULAR GLUTATHIONE LEVEL RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2011-07-21 US disclosed
EP-2139465-A1 COMPOSITION COMPRISING S-ALLYLMERCAPTO-N-ACETYLCYSTEINE (ASSNAC) FOR UP-REGULATION OF CELLULAR GLUTATHIONE LEVEL Ramot at Tel-Aviv University Ltd. (IL) 2010-01-06 EP disclosed
EP-2139465-A1 COMPOSITION COMPRISING S-ALLYLMERCAPTO-N-ACETYLCYSTEINE (ASSNAC) FOR UP-REGULATION OF CELLULAR GLUTATHIONE LEVEL Ramot at Tel-Aviv University Ltd. (IL) 2010-01-06 EP disclosed
WO-2008135984-A1 COMPOSITION COMPRISING S-ALLYLMERCAPTO-N-ACETYLCYSTEINE (ASSNAC) FOR UP-REGULATION OF CELLULAR GLUTATHIONE LEVEL RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2008-11-13 WO disclosed
WO-2008135984-A1 COMPOSITION COMPRISING S-ALLYLMERCAPTO-N-ACETYLCYSTEINE (ASSNAC) FOR UP-REGULATION OF CELLULAR GLUTATHIONE LEVEL RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2008-11-13 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-20120295977-A1 Organosulfur prodrugs for the prevention and treatment of infectious diseases TST, AHCY, MPST MAPT 3906/4885ALOX15 599/4885KDM4E 4533/4885
US-20190076377-A1 ORGANOSULFUR COMPOUNDS FOR THE PREVENTION AND TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, PARK7, TST MAPT 49/4885ALOX15 374/4885KDM4E 4177/4885
US-20130143967-A1 Organosulfur compounds for the prevention and treatment of neurodegenerative diseases SNCA, PARK7, TST MAPT 80/4885ALOX15 306/4885KDM4E 3942/4885
US-20110178152-A1 COMPOSITION COMPRISING S-ALLYLMERCAPTO-N-ACETYLCYSTEINE (ASSNAC) FOR UP-REGULATION OF CELLULAR GLUTATHIONE LEVEL GSTP1, GSTA1, GSTO1 MAPT 1768/4885ALOX15 417/4885KDM4E 4812/4885
US-20130165515-A1 Organosulfur Compounds for the Prevention and Treatment of Neurodegenerative Diseases SNCA, PARK7, TST MAPT 49/4885ALOX15 374/4885KDM4E 4177/4885
US-10758498-B2 Method of decreasing protein-aldehyde adducts by administering a mixed disulfide of n-acetylcysteine and propyl mercaptan, propenyl mercaptan, or allyl mercaptan SNCA, PARK7, MGMT MAPT 114/4885ALOX15 574/4885KDM4E 4516/4885
US-10258581-B2 Organosulfur compounds for the prevention and treatment of neurodegenerative diseases SNCA, PARK7, TST MAPT 49/4885ALOX15 374/4885KDM4E 4177/4885

“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.