SCHEMBL4881391

SCHEMBL4881391

CC(C)(C)OC(=O)NCCC[C@H](CNC(=O)[C@H](COCc1ccccc1)NC(=O)O)NC(=O)OC(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.61
PPARA Q07869 2/20 0.53
SYK P43405 1/20 0.51
PPARG P37231 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KLK7 P49862 2/20 0.46
KLK5 Q9Y337 2/20 0.46
MAPT P10636 1/20 0.46
CTSK P43235 4/20 0.46
RAB9A P51151 1/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
MMP1 P03956 1/20 0.44
MMP3 P08254 1/20 0.44
MMP9 P14780 1/20 0.44
ATM Q13315 1/20 0.44
AKT1 P31749 1/20 0.42

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
SCHEMBL4881383 1.00 CTSS (0.61) CTSSPPARASYKPPARGMEN1
SCHEMBL1024124 0.85 CTSS (0.49) CTSSPPARASYKPPARGMEN1
SCHEMBL4848456 0.85 CTSS (0.49) CTSSPPARASYKPPARGMEN1
SCHEMBL4879773 0.83 MEN1 (0.53) CTSSSYKMEN1KMT2ACTSK
SCHEMBL4879784 0.83 MEN1 (0.53) CTSSSYKMEN1KMT2ACTSK
SCHEMBL19295567 0.82 SYK (0.71) SYKMEN1KMT2AL3MBTL1KLK7
SCHEMBL19295609 0.81 CTSK (0.53) CTSSSYKMEN1KMT2AMAPT
SCHEMBL4853166 0.80 SYK (0.57) CTSSSYKMEN1KMT2AL3MBTL1
SCHEMBL18490887 0.80 CTSS (0.58) CTSSPPARAPPARGMEN1KMT2A
SCHEMBL4853159 0.79 SYK (0.55) CTSSSYKKLK7KLK5MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080275018-A1 ANTIBACTERIAL AMIDE-MACROCYCLES V AICURIS GMBH & CO. KG (DE) 2008-11-06 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-20080275018-A1 ANTIBACTERIAL AMIDE-MACROCYCLES V ARG1, HRH3, H1-0 CTSS 1049/4885PPARA 1335/4885SYK 2058/4885

“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.