SCHEMBL2870988

SCHEMBL2870988

CC(C)(C)OC(=O)N[C@@H](CCc1ccc(N)cn1)CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.39
CTSK P43235 3/20 0.36
CTSS P25774 2/20 0.36
CYP2D6 P10635 1/20 0.36
SYK P43405 2/20 0.36
TRPA1 O75762 1/20 0.35
CYP3A4 P08684 4/20 0.35
AAK1 Q2M2I8 3/20 0.35
APP P05067 1/20 0.35
KLK5 Q9Y337 1/20 0.34

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
SCHEMBL2870996 1.00 ATM (0.39) ATMCTSKCTSSCYP2D6SYK
SCHEMBL2864714 0.81 ITGAV (0.47) CTSKCTSS
SCHEMBL2864718 0.81 ITGAV (0.47) CTSKCTSS
SCHEMBL18428076 0.79 AAK1 (0.39) ATMCTSKCTSSSYKAAK1
SCHEMBL28113256 0.79 AAK1 (0.39) ATMCTSKCTSSSYKAAK1
SCHEMBL16974943 0.79 AAK1 (0.39) ATMCTSKCTSSSYKAAK1
SCHEMBL2985149 0.78 ITGB3 (0.48) CTSKCTSS
SCHEMBL27589044 0.78 ITGB3 (0.48) CTSKCTSS
SCHEMBL3493706 0.77 CTSK (0.58) ATMCTSKCTSSSYKAPP
SCHEMBL825574 0.77 CTSK (0.58) ATMCTSKCTSSSYKAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7750162-B2 Process for preparation of nonnatural amino acid and intermediate thereof DAISO CO., LTD. (JP) 2010-07-06 US disclosed
US-20070208180-A1 Process for Preparation of Nonnatural Amino Acid and Intermediate Thereof DAISO CO., LTD. (JP) 2007-09-06 US disclosed
EP-1739077-A1 PROCESS FOR PRODUCTION OF NONNATURAL AMINO ACIDS AND INTERMEDIATES THEREFOR DAISO CO., LTD. (JP) 2007-01-03 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 (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-20070208180-A1 Process for Preparation of Nonnatural Amino Acid and Intermediate Thereof BCAT1, BCAT2, AADAT ATM 1885/4885CTSK 3187/4885CTSS 2807/4885

“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.