SCHEMBL10137709

SCHEMBL10137709

CC(C)(C)OC(=O)NC1CCCC1C(=O)Nc1cc(OCc2ccccc2)cc(C(=O)OCc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.45
CTSB P07858 2/20 0.43
CTSS P25774 2/20 0.43
CTSK P43235 2/20 0.43
CASP3 P42574 3/20 0.42
CPB1 P15086 2/20 0.42
CTSL P07711 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RORC P51449 3/20 0.40
PDE4B Q07343 1/20 0.39

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
SCHEMBL10137705 0.92 CTSB (0.41) RAB9ACTSBCTSSCTSKCASP3
SCHEMBL12993235 0.92 CTSB (0.41) RAB9ACTSBCTSSCTSKCASP3
SCHEMBL12993249 0.89 CTSB (0.39) RAB9ACTSBCTSSCTSKCASP3
SCHEMBL12993327 0.89 CTSB (0.39) RAB9ACTSBCTSSCTSKCASP3
SCHEMBL12993332 0.89 CTSB (0.39) RAB9ACTSBCTSSCTSKCASP3
SCHEMBL12993074 0.87 CTSB (0.39) RAB9ACTSBCTSSCTSKCASP3
SCHEMBL10137708 0.87 CTSB (0.42) RAB9ACTSBCTSSCTSKCASP3
SCHEMBL12993240 0.84 RAB9A (0.44) RAB9ACTSBCTSSCTSKCASP3
SCHEMBL7138791 0.83 RAB9A (0.50) RAB9AKMT2ARORC
SCHEMBL10169343 0.78 ADAM17 (0.39) CTSBCTSSCTSKCASP3CPB1

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 RAB9A 3084/4885CTSB 1184/4885CTSS 1159/4885

“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.