SCHEMBL4409628

SCHEMBL4409628

C=CCN(S)[C@@H](CS)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
PTGS1 P23219 1/20 0.32
SLC7A11 Q9UPY5 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
SCHEMBL3664276 1.00 ALDH1A1 (0.32) ALDH1A1PTGS1SLC7A11
SCHEMBL1158205 1.00 ALDH1A1 (0.32) ALDH1A1PTGS1SLC7A11
SCHEMBL20420849 0.87
SCHEMBL4541470 0.82 ALDH1A1 (0.33) ALDH1A1PTGS1SLC7A11
SCHEMBL4541471 0.82 ALDH1A1 (0.33) ALDH1A1PTGS1SLC7A11
SCHEMBL2358767 0.80 ALDH1A1 (0.32) ALDH1A1PTGS1SLC7A11
SCHEMBL2358765 0.80 ALDH1A1 (0.32) ALDH1A1PTGS1SLC7A11
SCHEMBL1023965 0.78 ALDH1A1 (0.31) ALDH1A1PTGS1SLC7A11
SCHEMBL8752967 0.78 ALDH1A1 (0.31) ALDH1A1PTGS1SLC7A11
SCHEMBL1023964 0.78 ALDH1A1 (0.31) ALDH1A1PTGS1SLC7A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112155208-A Application of garlic organic sulfide in preparing liver-protecting food, health-care product or medicine 湖南农业大学 2021-01-01 CN disclosed
US-20140127179-A1 Natural Killer Cell Formulations SCIENTIFIC FORMULATIONS, LLC (US) 2014-05-08 US disclosed
US-8623919-B2 Method of synthesizing S-allyl-cysteine analogues and their therapeutic application in treating myocardial infarction FUDAN UNIVERSITY (CN) 2014-01-07 US disclosed
US-20090036534-A1 Method Of Synthesizing S-Allyl-Cysteine Analogues And Their Therapeutic Application In Treating Myocardial Infarction FUDAN UNIVERSITY (CN) 2009-02-05 US disclosed
WO-2004089108-A1 FOOD SUPPLEMENT FOR ANIMALS, ESPECIALLY POULTRY PHYTOSYNTHESE (FR) 2004-10-21 WO disclosed
EP-0180672-B1 PROCESS FOR THE PRODUCTION OF FLAVOR ENHANCING SEASONINGS AJINOMOTO CO., INC. (JP) 1988-09-21 EP disclosed
US-4741914-A WITH GLUTAMIC ACID SALT AJINOMOTO CO., INC. (JP) 1988-05-03 US disclosed
EP-0180672-A1 Process for the production of flavor enhancing seasonings AJINOMOTO CO., INC. (JP) 1986-05-14 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 (1 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-20090036534-A1 Method Of Synthesizing S-Allyl-Cysteine Analogues And Their Therapeutic Application In Treating Myocardial Infarction SRM, SMS, SCLY ALDH1A1 1122/4885PTGS1 1212/4885SLC7A11 50/4885

“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.