SCHEMBL4097399

SCHEMBL4097399

CC(C)C(O)[C@@H]([C]=O)NC(=O)[C@H](Cc1cccc(NC(=O)OC(C)(C)C)c1)NC(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.47
CTSK P43235 6/20 0.47
CTSB P07858 6/20 0.47
CTSL P07711 6/20 0.46
BACE1 P56817 4/20 0.45
ITGB3 P05106 1/20 0.44
ITGAV P06756 1/20 0.44
TACR1 P25103 1/20 0.44
MGLL Q99685 1/20 0.43

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
SCHEMBL4086975 0.83 CTSL (0.51) CTSSCTSKCTSBCTSLTACR1
SCHEMBL2367199 0.83 ITGB3 (0.60) CTSSCTSKCTSBCTSLBACE1
SCHEMBL2366818 0.83 ITGB3 (0.60) CTSSCTSKCTSBCTSLBACE1
SCHEMBL2367935 0.82 KLK5 (0.54) CTSSCTSKCTSBCTSLBACE1
SCHEMBL2367312 0.82 KLK5 (0.54) CTSSCTSKCTSBCTSLBACE1
SCHEMBL4097343 0.80 CTSB (0.54) CTSSCTSKCTSBCTSLBACE1
SCHEMBL2368213 0.77 CTSK (0.52) CTSSCTSKCTSL
SCHEMBL4089459 0.75 ITGB3 (0.46) CTSSCTSKCTSBCTSLBACE1
SCHEMBL9956403 0.75 ACE (0.63) CTSSCTSKCTSBCTSLITGB3
SCHEMBL9956406 0.75 ACE (0.63) CTSSCTSKCTSBCTSLITGB3

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 2 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-20090203582-A1 LYSOBACTIN AMIDES BAYER HEALTHCARE AG (DE) 2009-08-13 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-20090203582-A1 LYSOBACTIN AMIDES AADAT, HAMP, DLST CTSS 660/4885CTSK 1058/4885CTSB 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.