SCHEMBL1021956

SCHEMBL1021956

CC(C)(C)OC(=O)NCCNC(=O)[C@H](CN(Cc1ccccc1)C(=O)O)NC(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 11/20 0.55
CTSK P43235 10/20 0.55
CTSB P07858 5/20 0.55
CTSL P07711 3/20 0.55
AKT1 P31749 1/20 0.53
PSEN1 P49768 4/20 0.46
PSEN2 P49810 4/20 0.46
APH1B Q8WW43 4/20 0.46
NCSTN Q92542 4/20 0.46
APH1A Q96BI3 4/20 0.46
PSENEN Q9NZ42 4/20 0.46
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46

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
SCHEMBL1023417 0.83 CTSS (0.54) CTSSCTSKCTSBCTSLAKT1
SCHEMBL14675682 0.83 CTSS (0.49) CTSSCTSKCTSBCTSLAKT1
SCHEMBL21010315 0.81 CTSS (0.79) CTSSCTSKCTSBCTSLAKT1
SCHEMBL2440946 0.81 CTSS (0.79) CTSSCTSKCTSBCTSLAKT1
SCHEMBL1021946 0.80 CTSS (0.51) CTSSCTSKCTSBCTSLAKT1
SCHEMBL22833183 0.80 CTSL (0.54) CTSSCTSBCTSLAKT1
SCHEMBL1022884 0.79 CTSK (0.53) CTSSCTSKCTSBCTSLAKT1
SCHEMBL1022590 0.79 CTSS (0.54) CTSSCTSKCTSBCTSLAKT1
SCHEMBL4852363 0.78 KLK7 (0.54) CTSSCTSKCTSL
SCHEMBL9227553 0.78 SYK (0.62) CTSSCTSKCTSBCTSLAKT1

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-1869068-A1 ANTIBACTERIAL AMIDE-MACROCYCLES V AiCuris GmbH & Co. KG (DE) 2007-12-26 EP disclosed
WO-2006103015-A1 ANTIBACTERIAL AMIDE-MACROCYCLES V AICURIS GMBH & CO. KG (DE) 2006-10-05 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.