SCHEMBL5134409

SCHEMBL5134409

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

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.72
CTSS P25774 4/20 0.72
CTSB P07858 3/20 0.72
CTSK P43235 5/20 0.54
CAPN1 P07384 1/20 0.53
PPARG P37231 1/20 0.52
PPARA Q07869 1/20 0.52
ITGB3 P05106 1/20 0.52
ITGA2B P08514 1/20 0.52
TACR1 P25103 2/20 0.51

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
SCHEMBL2400096 0.95 CTSS (0.71) CTSLCTSSCTSBCTSKPPARG
SCHEMBL2400100 0.95 CTSS (0.71) CTSLCTSSCTSBCTSKPPARG
SCHEMBL3824323 0.95 CTSS (0.71) CTSLCTSSCTSBCTSKPPARG
SCHEMBL4575892 0.92 CTSL (0.65) CTSLCTSSCTSBCTSKCAPN1
SCHEMBL27715045 0.92 CTSL (0.65) CTSLCTSSCTSBCTSKCAPN1
SCHEMBL14404903 0.91 CTSL (0.71) CTSLCTSSCTSBCTSKTACR1
SCHEMBL3824387 0.91 CTSL (0.64) CTSLCTSSCTSBCTSKCAPN1
SCHEMBL14190233 0.89 CTSL (0.62) CTSLCTSSCTSBCTSKCAPN1
SCHEMBL4576533 0.86 CTSB (0.59) CTSLCTSSCTSBCTSKITGB3
SCHEMBL27715313 0.86 CTSS (0.64) CTSLCTSSCTSBCTSKCAPN1

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 12 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
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
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
EP-2007794-A1 LYSOBACTIN AMIDES AiCuris GmbH & Co. KG (DE) 2008-12-31 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
WO-2007118691-A1 LYSOBACTIN AMIDES 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

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-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 CTSL 360/4885CTSS 339/4885CTSB 313/4885
US-20090203582-A1 LYSOBACTIN AMIDES AADAT, HAMP, DLST CTSL 196/4885CTSS 660/4885CTSB 236/4885

“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.