SCHEMBL2869084

SCHEMBL2869084

CC(C)(C)OC(=O)N[C@@H](CCCI)C(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.55
CTSK P43235 4/20 0.55
KLK7 P49862 1/20 0.52
KLK5 Q9Y337 1/20 0.52
SYK P43405 1/20 0.52
CTSS P25774 4/20 0.52
MAPT P10636 1/20 0.51
PPARG P37231 1/20 0.50
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50

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
SCHEMBL2869086 1.00 PPARA (0.55) PPARACTSKKLK7KLK5SYK
SCHEMBL12305797 0.94 PPARA (0.56) PPARACTSKKLK7KLK5SYK
SCHEMBL3873538 0.94 PPARA (0.56) PPARACTSKKLK7KLK5SYK
SCHEMBL5639231 0.94 PPARA (0.56) PPARACTSKKLK7KLK5SYK
SCHEMBL693646 0.90 PPARA (0.55) PPARACTSKKLK7KLK5SYK
SCHEMBL22433675 0.90 CTSK (0.67) PPARACTSKSYKCTSSCTSL
SCHEMBL3906191 0.90 PPARA (0.55) PPARACTSKKLK7KLK5SYK
SCHEMBL953788 0.90 PPARA (0.55) PPARACTSKKLK7KLK5SYK
SCHEMBL18354663 0.90 SYK (0.55) PPARACTSKKLK7KLK5SYK
SCHEMBL18354600 0.90 SYK (0.55) PPARACTSKKLK7KLK5SYK

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 PPARA 2299/4885CTSK 3187/4885KLK7 4417/4885

“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.