SCHEMBL2367199

SCHEMBL2367199

CC(C)(C)OC(=O)Nc1cccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)O)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.60
ITGAV P06756 4/20 0.60
ACE P12821 1/20 0.56
MGLL Q99685 3/20 0.54
ITGA2B P08514 3/20 0.52
SYK P43405 1/20 0.52
PPARA Q07869 1/20 0.52
CTSB P07858 2/20 0.50
CTSS P25774 2/20 0.50
CTSK P43235 2/20 0.50
PTPN1 P18031 1/20 0.49
ENPP2 Q13822 1/20 0.49
BACE1 P56817 2/20 0.49
CTSL P07711 1/20 0.48
ITGB1 P05556 1/20 0.48
ITGB5 P18084 1/20 0.48

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
SCHEMBL2366818 1.00 ITGB3 (0.60) ITGB3ITGAVACEMGLLITGA2B
SCHEMBL2367312 0.93 KLK5 (0.54) ITGB3ITGAVACEMGLLSYK
SCHEMBL2367935 0.93 KLK5 (0.54) ITGB3ITGAVACEMGLLSYK
SCHEMBL4097343 0.92 CTSB (0.54) ITGB3ITGAVACEMGLLITGA2B
SCHEMBL9956403 0.91 ACE (0.63) ITGB3ITGAVACEITGA2BPPARA
SCHEMBL9956406 0.91 ACE (0.63) ITGB3ITGAVACEITGA2BPPARA
SCHEMBL6763708 0.89 ITGB3 (0.60) ITGB3ITGAVACEITGA2BSYK
SCHEMBL8072127 0.86 ACE (0.60) ITGB3ITGAVACEITGA2BSYK
SCHEMBL8072132 0.86 ACE (0.60) ITGB3ITGAVACEITGA2BSYK
SCHEMBL4089459 0.85 ITGB3 (0.46) ITGB3ITGAVACEMGLLSYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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-20090203582-A1 LYSOBACTIN AMIDES BAYER HEALTHCARE AG (DE) 2009-08-13 US disclosed
CN-101466729-A Lysobactin amides AICURIS GMBH & CO KG (DE) 2009-06-24 CN 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
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 (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 ITGB3 4372/4885ITGAV 4137/4885ACE 1494/4885
US-20090203582-A1 LYSOBACTIN AMIDES AADAT, HAMP, DLST ITGB3 2258/4885ITGAV 768/4885ACE 1492/4885

“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.