SCHEMBL1022568

SCHEMBL1022568

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.47
CTSL P07711 3/20 0.47
CTSB P07858 3/20 0.47
SYK P43405 1/20 0.47
AKT1 P31749 3/20 0.46
CTSK P43235 2/20 0.42
ATM Q13315 1/20 0.41
IDO1 P14902 1/20 0.41
PTGES O14684 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL1024058 0.89 SYK (0.45) CTSSCTSLCTSBSYKAKT1
SCHEMBL1022823 0.87 AKT1 (0.48) CTSSCTSLCTSBSYKAKT1
SCHEMBL1020978 0.87 MEN1 (0.46) CTSSCTSLCTSBSYKAKT1
SCHEMBL1021954 0.82 SYK (0.51) SYKMEN1KMT2A
SCHEMBL24323548 0.79 SYK (0.50) CTSSCTSLCTSBSYKAKT1
SCHEMBL1024146 0.78 AKT1 (0.48) CTSSCTSLCTSBSYKAKT1
SCHEMBL10188447 0.78 ATM (0.56) CTSSCTSLCTSBSYKAKT1
SCHEMBL1022590 0.78 CTSS (0.54) CTSSCTSLCTSBSYKAKT1
SCHEMBL4856502 0.77 SYK (0.48) CTSSCTSLCTSBSYKAKT1
SCHEMBL5059307 0.77 CTSL (0.47) CTSSCTSLCTSBSYKAKT1

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 107/4885CTSL 99/4885CTSB 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.