SCHEMBL2192913

SCHEMBL2192913

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
MAPT P10636 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
ACE P12821 1/20 0.42
FOLH1 Q04609 2/20 0.40
PTGS1 P23219 1/20 0.34
SLC7A11 Q9UPY5 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
ENPEP Q07075 2/20 0.31
FNTA P49354 1/20 0.30
FNTB P49356 1/20 0.30

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
Trifluoroacetic Acid SCHEMBL30645390 0.89 KDM4E (0.39) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL16815262 0.81 KDM4E (0.45) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL747872 0.81 MAPT (0.45) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL747873 0.81 MAPT (0.45) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL4417223 0.81 MAPT (0.45) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL31037760 0.80 TGFBR1 (0.42) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL2879599 0.79 KDM4E (0.44) KDM4EMAPTTHRBALOX15NFKB1
Hydrogen Sulfide SCHEMBL28147035 0.79 MAPT (0.44) KDM4EMAPTTHRBALOX15NFKB1
Hydrogen Sulfide SCHEMBL27945862 0.79 MAPT (0.44) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL2358774 0.79 KDM4E (0.44) KDM4EMAPTTHRBALOX15NFKB1

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
CN-111201017-A Methods for preparing deuterium-enriched N-acetylcysteine amide (D-NACA) and (2R,2R ') -3,3' -disulfanediylbis (2-acetamidopropionamide) (DINACA) and for treating diseases involving oxidative stress using D-NACA and DINACA 纳崔泰制药有限公司 2020-05-26 CN disclosed
EP-3313525-A1 ANTIBODY DRUG CONJUGATES OF KINESIN SPINDEL PROTEIN (KSP) INHIBITORS WITH ANTI-B7H3-ANTIBODIES Bayer Pharma Aktiengesellschaft (DE) 2018-05-02 EP disclosed
WO-2016207103-A1 ANTIBODY DRUG CONJUGATES OF KINESIN SPINDEL PROTEIN (KSP) INHIBITORS WITH ANTI-B7H3-ANTIBODIES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-29 WO disclosed
US-20160022620-A1 ENCAPSULATED COMPOSITION FOR BINDING ALDEHYDES IN THE STOMACH BIOHIT OYJ (FI) 2016-01-28 US disclosed
WO-2015189479-A1 COMPOSITION CONTAINING CYSTEINE OR A DERIVATIVE THEREOF FOR THE TREATMENT OR PREVENTION OF ACUTE HYPERSENSITIVITIES BIOHIT OYJ (FI) 2015-12-17 WO disclosed
WO-2014140411-A1 ENCAPSULATED COMPOSITION FOR BINDING ALDEHYDES IN THE STOMACH BIOHIT OYJ (FI) 2014-09-18 WO disclosed
US-20110171296-A1 METHOD AND PREPARATION FOR BINDING ACETALDEHYDE IN SALIVA, THE STOMACH AND THE LARGE INTESTINE BIOHIT OYJ (FI) 2011-07-14 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 (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-20110171296-A1 METHOD AND PREPARATION FOR BINDING ACETALDEHYDE IN SALIVA, THE STOMACH AND THE LARGE INTESTINE SI, ADH1C, ADH1A KDM4E 4713/4885MAPT 3706/4885THRB 2688/4885

“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.