SCHEMBL7430204

SCHEMBL7430204

CC(C)(C)OC(=O)N[C@H](CCCI)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.52
CTSS P25774 5/20 0.52
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
PPARA Q07869 5/20 0.45
PPARG P37231 4/20 0.45
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
ACE P12821 1/20 0.44
PPARD Q03181 2/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL4981797 1.00 CTSK (0.52) CTSKCTSSMEN1GAAKMT2A
SCHEMBL4981804 1.00 CTSK (0.52) CTSKCTSSMEN1GAAKMT2A
SCHEMBL1669009 0.97 CTSK (0.50) CTSKCTSSMEN1GAAKMT2A
SCHEMBL1669007 0.97 CTSK (0.50) CTSKCTSSMEN1GAAKMT2A
SCHEMBL21409086 0.92 CTSK (0.49) CTSKCTSSMEN1GAAKMT2A
SCHEMBL346192 0.92 CTSK (0.49) CTSKCTSSMEN1GAAKMT2A
SCHEMBL9753568 0.92 CTSK (0.49) CTSKCTSSMEN1GAAKMT2A
SCHEMBL6837916 0.91 CTSK (0.56) CTSKCTSSMEN1GAAKMT2A
SCHEMBL14150791 0.91 CTSK (0.56) CTSKCTSSMEN1GAAKMT2A
SCHEMBL6745774 0.91 CTSK (0.56) CTSKCTSSMEN1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114929705-A MLL1 inhibitor and anticancer agent 诺华公司 2022-08-19 CN disclosed
US-9840457-B2 Lysine isotopologues, compositions comprising the same and methods of synthesis CAMBRIDGE ISOTOPE LABORATORIES, INC. (US) 2017-12-12 US disclosed
US-20160016890-A1 LYSINE ISOTOPOLOGUES, COMPOSITIONS COMPRISING THE SAME AND METHODS OF SYNTHESIS CAMBRIDGE ISOTOPE LABORATORIES, INC. 2016-01-21 US disclosed
WO-2014150909-A1 LYSINE ISOTOPOLOGUES, COMPOSITIONS COMPRISING THE SAME AND METHODS OF SYNTHESIS CAMBRIDGE ISOTOPE LABORATORIES, INC. (US) 2014-09-25 WO disclosed
EP-1053226-A1 SULFONYLAMINO DERIVATIVES WHICH INHIBIT MATRIX-DEGRADING METALLOPROTEINASES Novartis AG (CH) 2000-11-22 EP disclosed
WO-1999042443-A1 SULFONYLAMINO DERIVATIVES WHICH INHIBIT MATRIX-DEGRADING METALLOPROTEINASES NOVARTIS AG (CH) 1999-08-26 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 (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-20160016890-A1 LYSINE ISOTOPOLOGUES, COMPOSITIONS COMPRISING THE SAME AND METHODS OF SYNTHESIS PLOD1, PHYKPL, AADAT CTSK 785/4885CTSS 2046/4885MEN1 716/4885

“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.