SCHEMBL2367935

SCHEMBL2367935

COC(=O)C(Cc1cccc(NC(=O)OC(C)(C)C)c1)NC(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 1/20 0.54
MGLL Q99685 3/20 0.53
ITGB3 P05106 1/20 0.52
ITGAV P06756 1/20 0.52
ALDH1A1 P00352 1/20 0.52
ALOX15 P16050 1/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
SYK P43405 1/20 0.51
PPARG P37231 1/20 0.51
CTSB P07858 2/20 0.49
CTSS P25774 2/20 0.49
CTSK P43235 2/20 0.49
KYNU Q16719 1/20 0.48
ENPP2 Q13822 1/20 0.48
BACE1 P56817 2/20 0.48
ACE P12821 1/20 0.47
CTSL P07711 1/20 0.47

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
SCHEMBL2367312 1.00 KLK5 (0.54) KLK5MGLLITGB3ITGAVALDH1A1
SCHEMBL2367199 0.93 ITGB3 (0.60) MGLLITGB3ITGAVSYKCTSB
SCHEMBL2366818 0.93 ITGB3 (0.60) MGLLITGB3ITGAVSYKCTSB
SCHEMBL14349424 0.91 KLK5 (0.57) KLK5ITGB3ITGAVALDH1A1CA12
SCHEMBL8072127 0.87 ACE (0.60) KLK5ITGB3ITGAVALDH1A1ALOX15
SCHEMBL8072132 0.87 ACE (0.60) KLK5ITGB3ITGAVALDH1A1ALOX15
SCHEMBL4089459 0.86 ITGB3 (0.46) MGLLITGB3ITGAVSYKCTSB
SCHEMBL4097343 0.86 CTSB (0.54) MGLLITGB3ITGAVSYKCTSB
SCHEMBL5161761 0.85 KLK5 (0.52) KLK5ITGB3ALDH1A1ALOX15SYK
SCHEMBL21947588 0.85 KLK5 (0.55) KLK5ITGB3ITGAVCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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-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 KLK5 2925/4885MGLL 574/4885ITGB3 4372/4885

“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.