SCHEMBL2230393

SCHEMBL2230393

CC(C)CN[C@@H](CS)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
THRB P10828 1/20 0.52
ALOX15 P16050 1/20 0.52
NFKB1 P19838 1/20 0.52
PTGS2 P35354 1/20 0.52
THPO P40225 1/20 0.52
RECQL P46063 1/20 0.52
BLM P54132 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ACE P12821 1/20 0.52
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 2/20 0.41
FOLH1 Q04609 3/20 0.40
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
RNPEP Q9H4A4 1/20 0.37
NAALAD2 Q9Y3Q0 2/20 0.36

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
SCHEMBL29649175 1.00 MAPT (0.52) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL2230396 1.00 MAPT (0.52) MAPTKDM4ETHRBALOX15NFKB1
Hydrochloric Acid SCHEMBL1926275 0.98 MAPT (0.50) MAPTKDM4ETHRBALOX15NFKB1
Hydrochloric Acid SCHEMBL1926272 0.98 MAPT (0.50) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL4866546 0.83 ACE (0.48) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL4866538 0.83 ACE (0.48) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL1396855 0.82 KDM4E (0.50) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL1396852 0.82 KDM4E (0.50) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL23052781 0.80 MME (0.46) MAPTACECYP2D6CYP2C19ALDH1A1
SCHEMBL21322181 0.80 MAPT (0.46) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119654133-A Desertraline for reducing animal urine odors 维克公司 2025-03-18 CN claimed
EP-0546063-A1 TOXIC AGENT PROTECTIVE COMPOUNDS, COMPOSITIONS AND USES The Secretary of State for Defence in Her Britannic Majesty's Government of the United Kingdom of Great Britain and (GB) 1993-06-16 EP claimed
WO-1992004024-A2 TOXIC AGENT PROTECTIVE COMPOUNDS, COMPOSITIONS AND METHOD THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1992-03-19 WO claimed
CN-119654133-A Desertraline for reducing animal urine odors 维克公司 2025-03-18 CN disclosed
US-11327060-B2 Method for analyzing enantiomer AJINOMOTO CO., INC. (JP) 2022-05-10 US disclosed
US-20110184148-A1 Method for Producing Peptide Thioester TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2011-07-28 US disclosed
EP-2085403-A1 PROCESS FOR PRODUCTION OF PEPTIDE THIOESTER TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2009-08-05 EP disclosed
EP-0546063-A1 TOXIC AGENT PROTECTIVE COMPOUNDS, COMPOSITIONS AND USES The Secretary of State for Defence in Her Britannic Majesty's Government of the United Kingdom of Great Britain and (GB) 1993-06-16 EP disclosed
WO-1992004024-A2 TOXIC AGENT PROTECTIVE COMPOUNDS, COMPOSITIONS AND METHOD THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1992-03-19 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 (2 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-11327060-B2 Method for analyzing enantiomer DCX, INF2, SRD5A2 MAPT 3206/4885KDM4E 3290/4885THRB 3387/4885
US-20110184148-A1 Method for Producing Peptide Thioester PTMS, QPCT, ACOT7 MAPT 2792/4885KDM4E 4161/4885THRB 790/4885

“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.