SCHEMBL1024020

SCHEMBL1024020

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
TDP1 Q9NUW8 2/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
CTSK P43235 6/20 0.34
CTSS P25774 4/20 0.34
SYK P43405 1/20 0.34
DPP7 Q9UHL4 1/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
MMP1 P03956 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
ATM Q13315 1/20 0.32
CAPN1 P07384 1/20 0.32
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL4852254 1.00 MEN1 (0.44) MEN1KMT2AGAATDP1MAOA
SCHEMBL1075434 0.90 MEN1 (0.46) MEN1KMT2AGAATDP1MAOA
SCHEMBL1075432 0.90 MEN1 (0.46) MEN1KMT2AGAATDP1MAOA
SCHEMBL1025297 0.89 CTSK (0.35) MEN1KMT2AGAACTSKCTSS
SCHEMBL12954853 0.88 MEN1 (0.52) MEN1KMT2AGAATDP1MAOA
SCHEMBL1025324 0.86 MEN1 (0.43) MEN1KMT2AGAATDP1MAOA
SCHEMBL4850324 0.86 MEN1 (0.43) MEN1KMT2AGAATDP1MAOA
SCHEMBL4887881 0.86 MEN1 (0.51) MEN1KMT2AGAATDP1MAOA
SCHEMBL4887891 0.86 MEN1 (0.51) MEN1KMT2AGAATDP1MAOA
Acetic Acid SCHEMBL4847779 0.84 MEN1 (0.37) MEN1KMT2AGAATDP1MAOA

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 MEN1 2081/4885KMT2A 3059/4885GAA 342/4885

“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.