SCHEMBL15002799

SCHEMBL15002799

CCCSSCC(NC(C)=O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ PTGS2 P35354 1/20 0.48
▸ THPO P40225 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ BLM P54132 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ ITGB1 P05556 3/20 0.41
▸ ITGA4 P13612 3/20 0.41
▸ ICMT O60725 1/20 0.39
▸ TGFBR1 P36897 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ PRNP P04156 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ NOD1 Q9Y239 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
SCHEMBL13835032 1.00 MAPT (0.48) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL29093262 0.90 MAPT (0.46) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL2140974 0.89 MAPT (0.59) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL308082 0.89 MAPT (0.59) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL24067699 0.89 MAPT (0.59) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL25329304 0.89 MAPT (0.59) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL308083 0.89 MAPT (0.59) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL24378366 0.87 MAPT (0.50) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL25340359 0.87 MAPT (0.57) MAPTKDM4ETHRBALOX15NFKB1
Water SCHEMBL8124987 0.87 MAPT (0.57) MAPTKDM4ETHRBALOX15NFKB1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170174623-A1 Organosulfur compounds for the prevention and treatment of neurodegenerative diseases Allium Vitalis, Inc. 2017-06-22 — — US disclosed
US-20170100349-A1 ORGANOSULFUR COMPOUNDS FOR THE PREVENTION AND TREATMENT OF NEURODEGENERATIVE DISEASES OTT DAVID MICHAEL (US) 2017-04-13 — — US disclosed
US-9562007-B2 Organosulfur compounds for the prevention and treatment of neurodegenerative diseases ALLIUM VITALIS INC. (US) 2017-02-07 — — US disclosed
US-9456999-B2 Organosulfur compounds for the prevention and treatment of neurodegenerative diseases Allium Vitalis, Inc. (US) 2016-10-04 — — US disclosed
US-20140050677-A1 Personal care and medicinal products incorporating bound organosulfur groups OTT DAVID MICHAEL (US) 2014-02-20 — — US disclosed
US-20130165515-A1 Organosulfur Compounds for the Prevention and Treatment of Neurodegenerative Diseases ALLIUM VITALIS INC. 2013-06-27 — — US disclosed
US-20130143967-A1 Organosulfur compounds for the prevention and treatment of neurodegenerative diseases ALLIUM VITALIS INC. 2013-06-06 — — 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 (5 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-20170100349-A1 ORGANOSULFUR COMPOUNDS FOR THE PREVENTION AND TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, PARK7, TST MAPT 49/4885KDM4E 4177/4885THRB 4614/4885
US-20130143967-A1 Organosulfur compounds for the prevention and treatment of neurodegenerative diseases SNCA, PARK7, TST MAPT 80/4885KDM4E 3942/4885THRB 4682/4885
US-20130165515-A1 Organosulfur Compounds for the Prevention and Treatment of Neurodegenerative Diseases SNCA, PARK7, TST MAPT 49/4885KDM4E 4177/4885THRB 4614/4885
US-20140050677-A1 Personal care and medicinal products incorporating bound organosulfur groups GPX4, LPO, GPX1 MAPT 3287/4885KDM4E 2280/4885THRB 3633/4885
US-20170174623-A1 Organosulfur compounds for the prevention and treatment of neurodegenerative diseases SNCA, PARK7, TARDBP MAPT 30/4885KDM4E 3833/4885THRB 4466/4885

“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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