SCHEMBL3873338

SCHEMBL3873338

CC(C)(C)OC(=O)NC(CC(=O)ON1C(=O)CCC1=O)C(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 3/20 0.55
KLK5 Q9Y337 2/20 0.55
CACNA1B Q00975 5/20 0.52
PPARA Q07869 2/20 0.47
TACR1 P25103 1/20 0.46
CTSS P25774 3/20 0.45
SYK P43405 1/20 0.45
CTSL P07711 2/20 0.45
CASP1 P29466 1/20 0.44
PPARG P37231 1/20 0.44
CTSK P43235 2/20 0.43
CTSB P07858 1/20 0.43
AKT1 P31749 1/20 0.43

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
SCHEMBL8059266 1.00 KLK7 (0.55) KLK7KLK5CACNA1BPPARATACR1
SCHEMBL29400686 0.92 KLK7 (0.60) KLK7KLK5CACNA1BPPARACTSS
SCHEMBL29401031 0.90 KLK7 (0.47) KLK7KLK5CACNA1BPPARACTSS
SCHEMBL2584726 0.88 KLK7 (0.51) KLK7KLK5CACNA1BPPARACTSS
SCHEMBL17177676 0.88 KLK7 (0.51) KLK7KLK5CACNA1BPPARACTSS
SCHEMBL18206895 0.85 CACNA1B (0.41) KLK7KLK5CACNA1BCTSSCTSL
SCHEMBL18206897 0.85 CACNA1B (0.41) KLK7KLK5CACNA1BCTSSCTSL
SCHEMBL4370045 0.85 KLK5 (0.65) KLK7KLK5CACNA1BPPARATACR1
SCHEMBL29401078 0.84 KLK7 (0.49) KLK7KLK5PPARACTSSSYK
SCHEMBL29808549 0.84 KLK7 (0.49) KLK7KLK5PPARACTSSSYK

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-7557137-B2 Gamma-lactams as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-07-07 US disclosed
US-20070265331-A1 Novel gamma-lactams as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-11-15 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-20070265331-A1 Novel gamma-lactams as beta-secretase inhibitors BACE1, APP, BACE2 KLK7 3979/4885KLK5 3423/4885CACNA1B 341/4885

“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.