SCHEMBL2930262

SCHEMBL2930262

CC(C)C[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.77
CAPN1 P07384 2/20 0.72
CTSL P07711 6/20 0.72
CTSS P25774 3/20 0.72
CTSB P07858 3/20 0.72

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
SCHEMBL25406813 1.00 CTSK (0.77) CTSKCAPN1CTSLCTSSCTSB
SCHEMBL4872585 1.00 CTSK (0.77) CTSKCAPN1CTSLCTSSCTSB
SCHEMBL14148467 1.00 CTSK (0.77) CTSKCAPN1CTSLCTSSCTSB
SCHEMBL20770085 1.00 CTSK (0.77) CTSKCAPN1CTSLCTSSCTSB
SCHEMBL8823918 1.00 CTSK (0.77) CTSKCAPN1CTSLCTSSCTSB
SCHEMBL7612532 0.95 CTSK (0.71) CTSKCAPN1CTSLCTSSCTSB
SCHEMBL7612544 0.95 CTSK (0.71) CTSKCAPN1CTSLCTSSCTSB
SCHEMBL7326845 0.95 CTSK (0.70) CTSKCAPN1CTSLCTSSCTSB
SCHEMBL1823902 0.95 CTSK (0.76) CTSKCAPN1CTSLCTSSCTSB
SCHEMBL222158 0.95 CTSK (0.76) CTSKCAPN1CTSLCTSSCTSB

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 21 patents — showing the first 20. 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-7718611-B2 Cyclic nonapeptide amides AICURIS GMBH & CO. KG (DE) 2010-05-18 US disclosed
US-7718611-B2 Cyclic nonapeptide amides AICURIS GMBH & CO. KG (DE) 2010-05-18 US disclosed
EP-2004670-B1 PROCESS FOR THE MANUFACTURE OF LYSOBACTIN DERIVATIVES AICURIS GMBH & CO KG (DE) 2010-01-27 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
US-20090163696-A1 METHOD FOR PREPARING LYSOBACTIN DERIVATIVES BAYER HEALTHCARE AG (DE) 2009-06-25 US disclosed
US-20090163696-A1 METHOD FOR PREPARING LYSOBACTIN DERIVATIVES BAYER HEALTHCARE AG (DE) 2009-06-25 US disclosed
EP-2004670-A1 PROCESS FOR THE MANUFACTURE OF LYSOBACTIN DERIVATIVES AiCuris GmbH & Co. KG (DE) 2008-12-24 EP disclosed
US-20080070884-A1 Antibiotics; novel class of cell wall biosynthesis inhibitors without cross-resistances to known classes of antibiotics; active analogs of lysobactin with a higher ring stability AICURIS GMBH & CO. KG (DE) 2008-03-20 US disclosed
US-20080070884-A1 Antibiotics; novel class of cell wall biosynthesis inhibitors without cross-resistances to known classes of antibiotics; active analogs of lysobactin with a higher ring stability AICURIS GMBH & CO. KG (DE) 2008-03-20 US disclosed
US-20080070884-A1 Antibiotics; novel class of cell wall biosynthesis inhibitors without cross-resistances to known classes of antibiotics; active analogs of lysobactin with a higher ring stability AICURIS GMBH & CO. KG (DE) 2008-03-20 US disclosed
WO-2007118693-A1 PROCESS FOR THE MANUFACTURE OF LYSOBACTIN DERIVATIVES AICURIS GMBH & CO. KG (DE) 2007-10-25 WO disclosed
WO-2007118691-A1 LYSOBACTIN AMIDES AICURIS GMBH & CO. KG (DE) 2007-10-25 WO disclosed
EP-1809657-A1 CYCLIC NONAPEPTIDE AMIDES AiCuris GmbH & Co. KG (DE) 2007-07-25 EP disclosed
WO-2006048156-A1 CYCLIC NONAPEPTIDE AMIDES AICURIS GMBH & CO. KG (DE) 2006-05-11 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 (3 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-20080070884-A1 Antibiotics; novel class of cell wall biosynthesis inhibitors without cross-resistances to known classes of antibiotics; active analogs of lysobactin with a higher ring stability AAAS, PGLS, NRDC CTSK 682/4885CAPN1 2387/4885CTSL 360/4885
US-20090163696-A1 METHOD FOR PREPARING LYSOBACTIN DERIVATIVES DLST, VIP, HAMP CTSK 571/4885CAPN1 1494/4885CTSL 142/4885
US-20090203582-A1 LYSOBACTIN AMIDES AADAT, HAMP, DLST CTSK 1058/4885CAPN1 3144/4885CTSL 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.