SCHEMBL1024124

SCHEMBL1024124

CC(C)(C)OC(=O)NCCC[C@@H](CNC(=O)[C@H](COCc1ccccc1)N(Cc1ccccc1)C(=O)O)NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.49
SYK P43405 1/20 0.49
PPARA Q07869 2/20 0.47
MAPT P10636 1/20 0.45
PPARG P37231 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MMP1 P03956 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
RAB9A P51151 1/20 0.40
CTSK P43235 3/20 0.40
GAA P10253 1/20 0.40
KLK7 P49862 3/20 0.40
KLK5 Q9Y337 3/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 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
SCHEMBL4848456 1.00 CTSS (0.49) CTSSSYKPPARAMAPTPPARG
SCHEMBL4850221 0.91 SYK (0.49) CTSSSYKMAPTMEN1KMT2A
SCHEMBL4850228 0.91 SYK (0.49) CTSSSYKMAPTMEN1KMT2A
SCHEMBL4881383 0.85 CTSS (0.61) CTSSSYKPPARAMAPTPPARG
SCHEMBL4881391 0.85 CTSS (0.61) CTSSSYKPPARAMAPTPPARG
SCHEMBL5066754 0.84 SYK (0.45) CTSSSYKMAPTMEN1KMT2A
SCHEMBL1024580 0.82 MMP1 (0.44) CTSSSYKMAPTMEN1KMT2A
SCHEMBL4853174 0.82 SYK (0.56) SYKMAPTATML3MBTL1KLK7
SCHEMBL19295567 0.81 SYK (0.71) SYKMAPTMEN1KMT2AATM
SCHEMBL4853602 0.81 SYK (0.47) CTSSSYKMAPTMEN1KMT2A

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 107/4885SYK 3060/4885PPARA 169/4885

“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.