SCHEMBL6095955

SCHEMBL6095955

CC(C)(C#C[Mg]Cl)NCC(=O)OC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 2/20 0.32
CA12 O43570 1/20 0.30
CA2 P00918 1/20 0.30
CA14 Q9ULX7 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
SCHEMBL6096929 0.78 CA12 (0.33) PTPRCCA12CA2CA14
SCHEMBL6759385 0.74 CA12 (0.34) PTPRCCA12CA2CA14
SCHEMBL6099336 0.74 CA12 (0.34) PTPRCCA12CA2CA14
SCHEMBL756932 0.70 CA2 (0.39) PTPRCCA12CA2CA14
SCHEMBL2586166 0.67 MEN1 (0.35) PTPRCCA12CA2CA14
SCHEMBL10209059 0.67 CA2 (0.39) PTPRCCA12CA2CA14
SCHEMBL6937980 0.67 MEN1 (0.40) PTPRCCA12CA2CA14
SCHEMBL21564883 0.66 CA2 (0.36) PTPRCCA12CA2CA14
SCHEMBL23894059 0.66 CA2 (0.41) PTPRCCA12CA2CA14
SCHEMBL783009 0.66 CA2 (0.41) PTPRCCA12CA2CA14

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 PTPRC 3904/4885CA12 1984/4885CA2 286/4885
US-20030032814-A1 Process for preparing optically active amino acid derivatives NPEPPS, AAAS, DDC PTPRC 3907/4885CA12 2363/4885CA2 398/4885

“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.