SCHEMBL4668975

SCHEMBL4668975

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

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.57
ALDH1A1 P00352 2/20 0.57
KDM4E B2RXH2 1/20 0.47
THRB P10828 1/20 0.47
ALOX15 P16050 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
ICMT O60725 5/20 0.46
GNPAT O15228 1/20 0.37
TGFBR1 P36897 1/20 0.36
PRNP P04156 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 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
SCHEMBL4668974 1.00 MAPT (0.57) MAPTALDH1A1KDM4ETHRBALOX15
SCHEMBL2223617 0.86 MAPT (0.47) MAPTALDH1A1KDM4ETHRBALOX15
SCHEMBL12442318 0.86 MAPT (0.47) MAPTALDH1A1KDM4ETHRBALOX15
SCHEMBL11126772 0.85 MAPT (0.43) MAPTALDH1A1KDM4ETHRBALOX15
SCHEMBL11883815 0.84 MAPT (0.44) MAPTALDH1A1KDM4ETHRBALOX15
SCHEMBL11883801 0.84 MAPT (0.44) MAPTALDH1A1KDM4ETHRBALOX15
SCHEMBL11883796 0.84 MAPT (0.44) MAPTALDH1A1KDM4ETHRBALOX15
SCHEMBL10277707 0.83 ALDH1A1 (0.42) MAPTALDH1A1SMN1; SMN2ICMT
SCHEMBL16745722 0.83 MAPT (0.59) MAPTALDH1A1KDM4ETHRBALOX15
SCHEMBL6308419 0.83 MAPT (0.59) MAPTALDH1A1KDM4ETHRBALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6239111-B1 DRUG FOR TREATING BRAIN DISEASES, ENABLES PREVENTION OR TREATMENT OF DEMENTIA AND SIMILAR DISEASES CAUSED BY DEGENERATION OR SLOUGHING OF NEURONS, AN ALLY SULFIDE, SULFOXIDE OR SULFONE WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2001-05-29 US claimed
EP-0051682-B1 CYSTEINE DERIVATIVES AND PROCESS FOR THEIR PREPARATION MITSUBISHI KASEI CORPORATION (JP) 1984-09-05 EP claimed
EP-0051682-A1 CYSTEINE DERIVATIVES AND PROCESS FOR THEIR PREPARATION MITSUBISHI KASEI CORPORATION (JP) 1982-05-19 EP claimed
US-20240257973-A1 DISEASE SPECTRUM CLASSIFICATION PATIENTSLIKEME LLC (US) 2024-08-01 US disclosed
US-11894139-B1 Disease spectrum classification PATIENTSLIKEME LLC (US) 2024-02-06 US disclosed
US-20220102000-A1 PREDICTING BLOOD METABOLITES YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2022-03-31 US disclosed
CN-111960978-A Synthesis method and application of S-allyl-L-cysteine substituted tyrosol derivative with neuroprotective activity 深圳红景堂生物医药科技有限公司 2020-11-20 CN 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-20190076377-A1 ORGANOSULFUR COMPOUNDS FOR THE PREVENTION AND TREATMENT OF NEURODEGENERATIVE DISEASES SOCTRONICS TECHNOLOGIES PRIVATE LIMITED (IN) 2019-03-14 US disclosed
US-10118891-B2 Organosulfur compounds for the prevention and treatment of neurodegenerative diseases Allium Vitalis, Inc. (US) 2018-11-06 US disclosed
EP-1901701-A2 PERSONAL CARE AND MEDICINAL PRODUCTS INCORPORATING BOUND ORGANOSULFUR GROUPS Ott, David M. (US) 2008-03-26 EP disclosed
WO-2006127918-A2 PERSONAL CARE AND MEDICINAL PRODUCTS INCORPORATING BOUND ORGANOSULFUR GROUPS OTT DAVID M (US) 2006-11-30 WO disclosed
US-20060269488-A1 Personal care and medicinal products incorporating bound organosulfur groups ALLIUM VITALIS INCORPORATED 2006-11-30 US disclosed
US-20050260250-A1 Medicinal products incorporating bound organosulfur groups ALLIUM VITALIS INCORPORATED 2005-11-24 US disclosed
US-20040235946-A1 Organosulphur prodrugs for the prevention and treatment of injectious diseases and pathologenic immune system response ALLIUM VITALIS INCORPORATED 2004-11-25 US disclosed
EP-0885608-A1 REMEDIES FOR BRAIN DISEASES WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 1998-12-23 EP disclosed
EP-0051682-B1 CYSTEINE DERIVATIVES AND PROCESS FOR THEIR PREPARATION MITSUBISHI KASEI CORPORATION (JP) 1984-09-05 EP disclosed
US-4440788-A REGENERATION OF LIVER CELLS MITSUBISHI CHEMICAL INDUSTRIES, LIMITED (JP) 1984-04-03 US disclosed
EP-0051682-A1 CYSTEINE DERIVATIVES AND PROCESS FOR THEIR PREPARATION MITSUBISHI KASEI CORPORATION (JP) 1982-05-19 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 (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-20190076377-A1 ORGANOSULFUR COMPOUNDS FOR THE PREVENTION AND TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, PARK7, TST MAPT 49/4885ALDH1A1 176/4885KDM4E 4177/4885
US-20040235946-A1 Organosulphur prodrugs for the prevention and treatment of injectious diseases and pathologenic immune system response TST, AHCY, SHMT1 MAPT 4189/4885ALDH1A1 2741/4885KDM4E 4556/4885
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 114/4885ALDH1A1 201/4885KDM4E 4516/4885
US-10258581-B2 Organosulfur compounds for the prevention and treatment of neurodegenerative diseases SNCA, PARK7, TST MAPT 49/4885ALDH1A1 176/4885KDM4E 4177/4885
US-20050260250-A1 Medicinal products incorporating bound organosulfur groups CBS, TST, CTH MAPT 2232/4885ALDH1A1 675/4885KDM4E 4483/4885
US-20060269488-A1 Personal care and medicinal products incorporating bound organosulfur groups LPO, TST, SCLY MAPT 2750/4885ALDH1A1 1461/4885KDM4E 2322/4885
US-10118891-B2 Organosulfur compounds for the prevention and treatment of neurodegenerative diseases SNCA, PARK7, TARDBP MAPT 30/4885ALDH1A1 213/4885KDM4E 3833/4885

“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.