SCHEMBL10137705

SCHEMBL10137705

CC(C)CCOc1cc(NC(=O)C2CCCC2NC(=O)OC(C)(C)C)cc(C(=O)OCc2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSB P07858 2/20 0.41
CTSS P25774 2/20 0.41
CTSK P43235 2/20 0.41
CASP3 P42574 3/20 0.41
CTSL P07711 1/20 0.40
CPB1 P15086 1/20 0.39
RORC P51449 6/20 0.38
PDE4B Q07343 1/20 0.38
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL12993235 1.00 CTSB (0.41) CTSBCTSSCTSKCASP3CTSL
SCHEMBL12993327 0.97 CTSB (0.39) CTSBCTSSCTSKCASP3CTSL
SCHEMBL12993249 0.97 CTSB (0.39) CTSBCTSSCTSKCASP3CTSL
SCHEMBL12993332 0.97 CTSB (0.39) CTSBCTSSCTSKCASP3CTSL
SCHEMBL12993074 0.96 CTSB (0.39) CTSBCTSSCTSKCASP3CTSL
SCHEMBL10137709 0.92 RAB9A (0.45) CTSBCTSSCTSKCASP3CTSL
SCHEMBL12993240 0.91 RAB9A (0.44) CTSBCTSSCTSKCASP3CTSL
SCHEMBL10169581 0.87 RAB9A (0.37) RAB9A
SCHEMBL10137578 0.87 RAB9A (0.42) RAB9ANPSR1
SCHEMBL10137691 0.87 NR1H4 (0.40) CTSBCTSSCTSKCASP3CTSL

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 CTSB 1184/4885CTSS 1159/4885CTSK 887/4885

“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.