SCHEMBL1021946

SCHEMBL1021946

CC(C)(C)OC(=O)N[C@@H](CCNC(=O)OCc1ccccc1)C(=O)NCCN(Cc1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.51
CTSK P43235 3/20 0.51
MAPT P10636 1/20 0.51
KLK7 P49862 2/20 0.49
KLK5 Q9Y337 2/20 0.49
CTSL P07711 3/20 0.48
CTSB P07858 2/20 0.48
AKT1 P31749 1/20 0.47
SYK P43405 1/20 0.47
CPB1 P15086 1/20 0.47
CPB2 Q96IY4 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.45
PPARA Q07869 1/20 0.45
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45

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
SCHEMBL1021681 0.95 KLK7 (0.51) CTSSCTSKMAPTKLK7KLK5
SCHEMBL4852363 0.94 KLK7 (0.54) CTSSCTSKMAPTKLK7KLK5
SCHEMBL1024654 0.87 KLK7 (0.49) CTSSMAPTKLK7KLK5CTSL
SCHEMBL1023528 0.86 KLK7 (0.47) CTSSCTSKMAPTKLK7KLK5
SCHEMBL1023417 0.85 CTSS (0.54) CTSSCTSKCTSLCTSBAKT1
SCHEMBL7763637 0.84 MAPT (0.57) CTSSCTSKMAPTKLK7KLK5
SCHEMBL7763641 0.84 MAPT (0.57) CTSSCTSKMAPTKLK7KLK5
SCHEMBL1020968 0.84 SYK (0.45) CTSSCTSKMAPTKLK7KLK5
SCHEMBL1023512 0.83 CPB1 (0.47) CTSSCTSKMAPTKLK7KLK5
SCHEMBL6621271 0.83 MAPT (0.60) CTSSCTSKMAPTKLK7KLK5

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-1797110-B1 ANTIBACTERIAL AMIDE MACROCYCLES IV AICURIS GMBH & CO KG (DE) 2011-01-12 EP disclosed
US-7446102-B2 Antibacterial amide macrocycles IV AICURIS GMBH & CO. KG (DE) 2008-11-04 US disclosed
US-20080076745-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV AICURIS GMBH & CO. KG (DE) 2008-03-27 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-20080076745-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV NOD2, AAAS, AADAC CTSS 107/4885CTSK 127/4885MAPT 4356/4885

“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.