SCHEMBL1023558

SCHEMBL1023558

CC(C)(C)OC(=O)NCCC[C@@H](C(=O)NCCCC[C@@H](CC(=O)NCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)N(Cc1ccccc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
SIRT5 Q9NXA8 1/20 0.44
EPOR P19235 5/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MMP1 P03956 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
KLK7 P49862 2/20 0.41
KLK5 Q9Y337 2/20 0.41
SYK P43405 1/20 0.41
ATM Q13315 1/20 0.40
PAX8 Q06710 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL5066754 0.93 SYK (0.45) MAPTSIRT5MEN1KMT2AMMP1
SCHEMBL1024580 0.88 MMP1 (0.44) MAPTMEN1KMT2AMMP1MMP3
SCHEMBL1020939 0.88 MEN1 (0.51) MAPTEPORMEN1KMT2AMMP1
SCHEMBL4850221 0.87 SYK (0.49) MAPTMEN1KMT2AMMP1MMP3
SCHEMBL4850228 0.87 SYK (0.49) MAPTMEN1KMT2AMMP1MMP3
SCHEMBL1022382 0.85 MMP1 (0.43) MAPTMEN1KMT2AMMP1MMP3
SCHEMBL1021128 0.83 SIRT5 (0.45) MAPTSIRT5MEN1KMT2AMMP1
SCHEMBL1022884 0.82 CTSK (0.53) MEN1KMT2AMMP1MMP3MMP9
SCHEMBL1024008 0.81 KMT2A (0.48) MAPTMEN1KMT2AMMP1MMP3
SCHEMBL4853602 0.81 SYK (0.47) MAPTSIRT5MEN1KMT2AMMP1

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 MAPT 4356/4885SIRT5 76/4885EPOR 1089/4885

“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.