SCHEMBL4853260

SCHEMBL4853260

CC(C)(C)OC(=O)NCCC[C@@H](N)C(=O)NCCC[C@@H](C(N)=O)N(CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
DPP7 Q9UHL4 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
GNAI3 P08754 1/20 0.35
GNAO1 P09471 1/20 0.35
GNAI1 P63096 1/20 0.35
CA1 P00915 9/20 0.34
CA2 P00918 9/20 0.34
CA12 O43570 6/20 0.34
CA9 Q16790 6/20 0.34
RRM1 P23921 1/20 0.34
CA14 Q9ULX7 1/20 0.34
STK17B O94768 1/20 0.32
STK17A Q9UEE5 1/20 0.32
CAPN1 P07384 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
SCHEMBL4848983 1.00 MEN1 (0.45) MEN1GAAKMT2AMAOAMAOB
SCHEMBL4850915 0.86 MEN1 (0.46) MEN1GAAKMT2AMAOAMAOB
SCHEMBL12954612 0.81 MEN1 (0.62) MEN1GAAKMT2AMAOAMAOB
SCHEMBL15641590 0.81 MEN1 (0.44) MEN1GAAKMT2AMAOAMAOB
SCHEMBL15641585 0.81 MEN1 (0.44) MEN1GAAKMT2AMAOAMAOB
SCHEMBL4847771 0.79 MEN1 (0.38) MEN1GAAKMT2AMAOAMAOB
SCHEMBL26153771 0.79 MEN1 (0.56) MEN1GAAKMT2AMAOAMAOB
SCHEMBL20209200 0.78 MEN1 (0.44) MEN1GAAKMT2AMAOAMAOB
SCHEMBL27148376 0.78 MEN1 (0.44) MEN1GAAKMT2AMAOAMAOB
SCHEMBL4857153 0.77 SIRT2 (0.47)

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 5 patents. 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
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
EP-1869068-A1 ANTIBACTERIAL AMIDE-MACROCYCLES V AiCuris GmbH & Co. KG (DE) 2007-12-26 EP disclosed
WO-2006103015-A1 ANTIBACTERIAL AMIDE-MACROCYCLES V AICURIS GMBH & CO. KG (DE) 2006-10-05 WO 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 (2 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 2081/4885GAA 342/4885KMT2A 3059/4885
US-20080275018-A1 ANTIBACTERIAL AMIDE-MACROCYCLES V ARG1, HRH3, H1-0 MEN1 1513/4885GAA 3747/4885KMT2A 1254/4885

“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.