SCHEMBL1022798

SCHEMBL1022798

CC(C)(C)OC(=O)N[C@@H](CCCN(Cc1ccccc1)C(=O)O)C(=O)NCC(O)CO

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.52
CTSK P43235 7/20 0.52
CTSB P07858 3/20 0.48
CTSL P07711 2/20 0.48
CXCR3 P49682 2/20 0.44
AKT1 P31749 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
SCHEMBL1022590 0.89 CTSS (0.54) CTSSCTSKCTSBCTSLAKT1
SCHEMBL1022566 0.84 CTSK (0.48) CTSSCTSKCTSBCTSLAKT1
SCHEMBL2265891 0.83 SYK (0.54) CTSSCTSKCTSBCTSL
SCHEMBL2265883 0.83 SYK (0.54) CTSSCTSKCTSBCTSL
SCHEMBL1023417 0.82 CTSS (0.54) CTSSCTSKCTSBCTSLAKT1
SCHEMBL1022839 0.81 CTSS (0.49) CTSSCTSKCTSBCTSLAKT1
SCHEMBL15238968 0.81 CTSK (0.53) CTSSCTSKCTSBCTSL
SCHEMBL1026975 0.79 CTSL (0.51) CTSSCTSKCTSBCTSL
SCHEMBL4895955 0.79 CTSS (0.48) CTSSCTSKCTSBCTSLAKT1
SCHEMBL4852363 0.79 KLK7 (0.54) CTSSCTSKCTSL

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 5 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
EP-1797110-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV AiCuris GmbH & Co. KG (DE) 2007-06-20 EP disclosed
WO-2006034786-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV AICURIS GMBH & CO.KG (DE) 2006-04-06 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 (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 127/4885CTSB 75/4885

“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.