SCHEMBL4888034

SCHEMBL4888034

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
DPP7 Q9UHL4 2/20 0.36
CAPN1 P07384 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CTSS P25774 4/20 0.34
CTSK P43235 4/20 0.34
SYK P43405 1/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
NOD1 Q9Y239 1/20 0.34
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33
MMP1 P03956 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33

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
SCHEMBL14003851 0.96 MEN1 (0.46) MEN1GAAKMT2ADPP7CAPN1
SCHEMBL4880354 0.94 MEN1 (0.47) MEN1GAAKMT2ADPP7CAPN1
SCHEMBL14029680 0.92 MEN1 (0.46) MEN1GAAKMT2ADPP7CAPN1
SCHEMBL4887881 0.92 MEN1 (0.51) MEN1GAAKMT2ADPP7CAPN1
SCHEMBL4887891 0.92 MEN1 (0.51) MEN1GAAKMT2ADPP7CAPN1
SCHEMBL4883369 0.92 MEN1 (0.53) MEN1GAAKMT2ACAPN1TDP1
SCHEMBL4883374 0.92 MEN1 (0.53) MEN1GAAKMT2ACAPN1TDP1
SCHEMBL4883730 0.90 MEN1 (0.47) MEN1GAAKMT2ADPP7CAPN1
SCHEMBL14029679 0.89 MEN1 (0.48) MEN1GAAKMT2ADPP7CAPN1
SCHEMBL4883741 0.87 MEN1 (0.49) MEN1GAAKMT2ADPP7CAPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080306040-A1 Antibacterial amide macrocycles VII AICURIS GMBH & CO. KG (DE) 2008-12-11 US disclosed
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 (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-20080275018-A1 ANTIBACTERIAL AMIDE-MACROCYCLES V ARG1, HRH3, H1-0 MEN1 1513/4885GAA 3747/4885KMT2A 1254/4885
US-20080306040-A1 Antibacterial amide macrocycles VII AADAC, AAAS, NOD2 MEN1 2121/4885GAA 260/4885KMT2A 3625/4885

“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.