SCHEMBL6099336

SCHEMBL6099336

C#CC(C)(C)NCC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA14 Q9ULX7 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
PTPRC P08575 2/20 0.33
CYP2D6 P10635 1/20 0.33
DGAT1 O75907 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 2/20 0.31

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
SCHEMBL6759385 0.81 CA12 (0.34) CA12CA2CA14L3MBTL1PTPRC
SCHEMBL6096929 0.78 CA12 (0.33) CA12CA2CA14PTPRCCYP2D6
SCHEMBL6937980 0.77 MEN1 (0.40) CA12CA2CA14L3MBTL1PTPRC
SCHEMBL756932 0.77 CA2 (0.39) CA12CA2CA14L3MBTL1PTPRC
SCHEMBL6094410 0.75 PTPRC (0.33) CA12CA2CA14PTPRC
SCHEMBL22367564 0.74 TDP1 (0.38) CA12CA2CA14L3MBTL1PTPRC
SCHEMBL1278083 0.74 CA12 (0.35) CA12CA2CA14L3MBTL1PTPRC
SCHEMBL22034469 0.74 TDP1 (0.54) CA12CA2MEN1GAAKMT2A
SCHEMBL6095955 0.74 PTPRC (0.32) CA12CA2CA14PTPRC
SCHEMBL21564883 0.72 CA2 (0.36) CA12CA2CA14L3MBTL1PTPRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109352-B2 Process for producing optically active amino acid derivatives KANEKA CORPORATION (JP) 2006-09-19 US disclosed
US-20050143586-A1 Process for producing optically active amino acid derivatives KANEKA CORPORATION (JP) 2005-06-30 US disclosed
US-6720449-B2 N-PROTECTING AN OPTICALLY ACTIVE 3-HALOALANINE DERIVATIVE FOLLOWED BY CYCLIZATION FOR AZIRIDINE-2-CARBOXYLIC ACID DERIVATIVES KANEKA CORPORATION (JP) 2004-04-13 US disclosed
US-20030032814-A1 Process for preparing optically active amino acid derivatives KANEKA CORPORATION (JP) 2003-02-13 US disclosed
EP-1179530-A1 PROCESSES FOR PREPARING OPTICALLY ACTIVE AMINO ACID DERIVATIVES Kaneka Corporation (JP) 2002-02-13 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 (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-20050143586-A1 Process for producing optically active amino acid derivatives NPEPPS, AAAS, DDC CA12 1984/4885CA2 286/4885CA14 2621/4885
US-20030032814-A1 Process for preparing optically active amino acid derivatives NPEPPS, AAAS, DDC CA12 2363/4885CA2 398/4885CA14 2999/4885

“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.