SCHEMBL10169343

SCHEMBL10169343

COc1cc(NC(=O)C2CN(C(=O)OC(C)(C)C)CC2NC(=O)OCc2ccccc2)cc(C(=O)NC2CCCC2C(=O)Nc2cc(OCCC(C)C)cc(C(=O)OCc3ccccc3)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.39
NPSR1 Q6W5P4 2/20 0.38
PDE4B Q07343 1/20 0.38
MMP7 P09237 3/20 0.37
MMP12 P39900 3/20 0.37
MMP3 P08254 2/20 0.37
MMP10 P09238 2/20 0.37
CTSK P43235 3/20 0.37
CTSB P07858 2/20 0.37
CTSS P25774 2/20 0.37
CASP3 P42574 3/20 0.36
MMP8 P22894 2/20 0.36
CPB1 P15086 1/20 0.35
USP30 Q70CQ3 1/20 0.35
CTSL P07711 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL12993315 0.98 ADAM17 (0.39) ADAM17NPSR1PDE4BMMP7MMP12
SCHEMBL12993314 0.96 ADAM17 (0.40) ADAM17NPSR1PDE4BMMP7MMP12
SCHEMBL13038920 0.96 ADAM17 (0.40) ADAM17NPSR1PDE4BMMP7MMP12
SCHEMBL12993249 0.89 CTSB (0.39) PDE4BCTSKCTSBCTSSCASP3
SCHEMBL12993327 0.89 CTSB (0.39) PDE4BCTSKCTSBCTSSCASP3
SCHEMBL12993332 0.89 CTSB (0.39) PDE4BCTSKCTSBCTSSCASP3
SCHEMBL12993074 0.88 CTSB (0.39) PDE4BCTSKCTSBCTSSCASP3
SCHEMBL10137705 0.86 CTSB (0.41) NPSR1PDE4BCTSKCTSBCTSS
SCHEMBL12993235 0.86 CTSB (0.41) NPSR1PDE4BCTSKCTSBCTSS
SCHEMBL12993352 0.84 NPSR1 (0.45) ADAM17NPSR1PDE4BMMP7MMP12

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-10322998-B2 Heterogeneous foldamers containing α, β, and/or γ-amino acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2019-06-18 US disclosed
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 (2 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-10322998-B2 Heterogeneous foldamers containing α, β, and/or γ-amino acids DNPEP, PRKCSH, BCAT1 ADAM17 1149/4885NPSR1 3070/4885PDE4B 4106/4885
US-20120021530-A1 HETEROGENEOUS FOLDAMERS CONTAINING alpha, beta, and/or gamma-AMINO ACIDS DNPEP, PRKCSH, YWHAZ ADAM17 1161/4885NPSR1 3184/4885PDE4B 4349/4885

“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.