SCHEMBL10169574

SCHEMBL10169574

CC(C)(C)OC(=O)N1CC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@H](CC(=O)O)C1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.46
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
USP30 Q70CQ3 4/20 0.41
KMT2A Q03164 2/20 0.40
GPR119 Q8TDV5 2/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
STS P08842 1/20 0.39
TLR2 O60603 1/20 0.38
TLR1 Q15399 1/20 0.38

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
SCHEMBL6346165 1.00 BACE1 (0.46) BACE1KDM4EPKMUSP30KMT2A
SCHEMBL6349287 0.92 BACE1 (0.45) BACE1USP30KMT2ATLR2TLR1
SCHEMBL7205505 0.87 BACE1 (0.45) BACE1KDM4EPKMUSP30KMT2A
SCHEMBL6353989 0.87 BACE1 (0.45) BACE1KDM4EPKMUSP30KMT2A
SCHEMBL31340321 0.85 BACE1 (0.45) BACE1KDM4EPKMUSP30KMT2A
SCHEMBL5432734 0.85 BACE1 (0.43) BACE1KDM4EPKMUSP30KMT2A
SCHEMBL5432743 0.85 BACE1 (0.43) BACE1KDM4EPKMUSP30KMT2A
SCHEMBL5432737 0.85 BACE1 (0.43) BACE1KDM4EPKMUSP30KMT2A
SCHEMBL5432591 0.84 BACE1 (0.44) BACE1KDM4EPKMUSP30KMT2A
SCHEMBL4688249 0.84 BACE1 (0.44) BACE1KDM4EPKMUSP30KMT2A

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-20120021530-A1 HETEROGENEOUS FOLDAMERS CONTAINING alpha, beta, and/or gamma-AMINO ACIDS WISCONSIN ALUMNI RESEARCH FOUNDATION 2012-01-26 US disclosed
US-7858737-B2 Heterogeneous foldamers containing α, β, and/or γ-amino acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-12-28 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-20120021530-A1 HETEROGENEOUS FOLDAMERS CONTAINING alpha, beta, and/or gamma-AMINO ACIDS DNPEP, PRKCSH, YWHAZ BACE1 54/4885KDM4E 4717/4885PKM 2715/4885

“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.