SCHEMBL4097343

SCHEMBL4097343

CC(C)(C)C[C@H](NC(=O)[C@@H](CC(C)(C)C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1cccc(NC(=O)OC(C)(C)C)c1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSB P07858 3/20 0.54
CTSS P25774 3/20 0.54
CTSL P07711 2/20 0.54
ITGB3 P05106 4/20 0.54
ITGAV P06756 2/20 0.54
ACE P12821 1/20 0.49
MGLL Q99685 1/20 0.47
ITGA2B P08514 2/20 0.47
CTSK P43235 2/20 0.46
MME P08473 1/20 0.46
ECE1 P42892 1/20 0.46
BACE1 P56817 3/20 0.46
SYK P43405 1/20 0.46
PPARA Q07869 1/20 0.46
CAPN1 P07384 1/20 0.45

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
SCHEMBL2367199 0.92 ITGB3 (0.60) CTSBCTSSCTSLITGB3ITGAV
SCHEMBL2366818 0.92 ITGB3 (0.60) CTSBCTSSCTSLITGB3ITGAV
SCHEMBL4088197 0.87 CTSB (0.47) CTSBCTSSCTSLITGB3ITGAV
SCHEMBL2367935 0.86 KLK5 (0.54) CTSBCTSSCTSLITGB3ITGAV
SCHEMBL2367312 0.86 KLK5 (0.54) CTSBCTSSCTSLITGB3ITGAV
SCHEMBL2367698 0.84 CTSS (0.44) CTSBCTSSCTSLITGB3ITGAV
SCHEMBL9956406 0.84 ACE (0.63) CTSBCTSSCTSLITGB3ITGAV
SCHEMBL9956403 0.84 ACE (0.63) CTSBCTSSCTSLITGB3ITGAV
SCHEMBL6763708 0.82 ITGB3 (0.60) CTSBCTSSCTSLITGB3ITGAV
SCHEMBL5134409 0.82 CTSL (0.72) CTSBCTSSCTSLITGB3ITGA2B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076285-B2 Lysobactin amides AICURIS GMBH & CO. KG (DE) 2011-12-13 US disclosed
US-20090203582-A1 LYSOBACTIN AMIDES BAYER HEALTHCARE AG (DE) 2009-08-13 US disclosed
EP-2007794-A1 LYSOBACTIN AMIDES AiCuris GmbH & Co. KG (DE) 2008-12-31 EP disclosed
WO-2007118691-A1 LYSOBACTIN AMIDES AICURIS GMBH & CO. KG (DE) 2007-10-25 WO 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-20090203582-A1 LYSOBACTIN AMIDES AADAT, HAMP, DLST CTSB 236/4885CTSS 660/4885CTSL 196/4885

“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.