SCHEMBL17449753

SCHEMBL17449753

CC[13CH2][C@@H]([15NH]C(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.66
CTSS P25774 5/20 0.66
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
PPARA Q07869 5/20 0.47
PPARG P37231 4/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
ACE P12821 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
PPARD Q03181 2/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45

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
SCHEMBL1231627 1.00 CTSK (0.66) CTSKCTSSMEN1GAAKMT2A
SCHEMBL3450517 1.00 CTSK (0.66) CTSKCTSSMEN1GAAKMT2A
SCHEMBL67061 1.00 CTSK (0.66) CTSKCTSSMEN1GAAKMT2A
SCHEMBL1350139 0.90 CTSK (0.68) CTSKCTSSMEN1GAAKMT2A
SCHEMBL345582 0.90 CTSK (0.68) CTSKCTSSMEN1GAAKMT2A
SCHEMBL3448997 0.90 CTSK (0.68) CTSKCTSSMEN1GAAKMT2A
SCHEMBL3233192 0.88 CTSK (0.62) CTSKCTSSMEN1GAAKMT2A
SCHEMBL18875931 0.88 CTSK (0.62) CTSKCTSSMEN1GAAKMT2A
Hydrochloric Acid SCHEMBL6037571 0.88 CTSK (0.66) CTSKCTSSMEN1GAAKMT2A
SCHEMBL14820490 0.88 CTSK (0.62) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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.