SCHEMBL4089409

SCHEMBL4089409

CC(C)(C)OC(=O)N[C@H](c1ccccc1)[C@H](N)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.50
CTSS P25774 3/20 0.50
GABRB1 P18505 1/20 0.44
GABRB2 P47870 1/20 0.44
MAPT P10636 1/20 0.44
PPARA Q07869 5/20 0.44
PPARG P37231 4/20 0.44
ATM Q13315 1/20 0.44
ACE P12821 1/20 0.43
PPARD Q03181 2/20 0.43
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
SLC1A3 P43003 1/20 0.42

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
SCHEMBL31344398 1.00 CTSK (0.50) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL16343127 1.00 CTSK (0.50) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL31477442 1.00 CTSK (0.50) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL12294363 0.89 CTSK (0.48) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL12294359 0.89 CTSK (0.48) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL31477648 0.89 CTSK (0.48) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL28696589 0.87 CTSK (0.51) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL29839237 0.87 CTSK (0.51) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL28598937 0.87 CTSK (0.51) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL31503119 0.85 CTSK (0.48) CTSKCTSSMAPTATMCTSL

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 8 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-8076285-B2 Lysobactin amides AICURIS GMBH & CO. KG (DE) 2011-12-13 US disclosed
US-8076285-B2 Lysobactin amides AICURIS GMBH & CO. KG (DE) 2011-12-13 US disclosed
EP-2007794-B1 LYSOBACTIN AMIDES AICURIS GMBH & CO KG (DE) 2011-09-14 EP disclosed
US-20090203582-A1 LYSOBACTIN AMIDES BAYER HEALTHCARE AG (DE) 2009-08-13 US disclosed
US-20090203582-A1 LYSOBACTIN AMIDES BAYER HEALTHCARE AG (DE) 2009-08-13 US disclosed
US-20090203582-A1 LYSOBACTIN AMIDES BAYER HEALTHCARE AG (DE) 2009-08-13 US 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 CTSK 1058/4885CTSS 660/4885GABRB1 3699/4885

“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.