SCHEMBL4885329

SCHEMBL4885329

CC(C)(C)OC(=O)NCCNC(=O)C[C@H](CCCCN)NC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 2/20 0.40
ITGB3 P05106 8/20 0.39
ITGA2B P08514 8/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
MALT1 Q9UDY8 1/20 0.36
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
EPHX1 P07099 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL4886862 0.96 MEN1 (0.48) MEN1GAAKMT2ATDP1ITGB3
SCHEMBL12954630 0.93 MEN1 (0.46) MEN1GAAKMT2ATDP1ITGB3
SCHEMBL4886915 0.90 MEN1 (0.58) MEN1GAAKMT2ATDP1MAOA
SCHEMBL14029741 0.89 MEN1 (0.47) MEN1GAAKMT2ATDP1ITGB3
SCHEMBL4888081 0.85 MEN1 (0.48) MEN1GAAKMT2ATDP1ITGB3
SCHEMBL4888070 0.85 MEN1 (0.48) MEN1GAAKMT2ATDP1ITGB3
SCHEMBL4886890 0.84 MEN1 (0.51) MEN1GAAKMT2ATDP1MAOA
SCHEMBL4886861 0.82 MEN1 (0.56) MEN1GAAKMT2ATDP1MAOA
SCHEMBL4887200 0.81 MEN1 (0.51) MEN1GAAKMT2ATDP1MAOA
SCHEMBL5064563 0.81 MEN1 (0.53) MEN1GAAKMT2ATDP1MAOA

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 1 patent. 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

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-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.