SCHEMBL4887762

SCHEMBL4887762

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
GAA P10253 1/20 0.61
CTSS P25774 6/20 0.53
CTSK P43235 6/20 0.53
CA1 P00915 5/20 0.49
CA2 P00918 5/20 0.49
TDP1 Q9NUW8 2/20 0.49
CAPN1 P07384 1/20 0.46
MMP1 P03956 1/20 0.46
MMP3 P08254 1/20 0.46
MMP9 P14780 1/20 0.46
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
ATM Q13315 1/20 0.42
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL27096109 0.90 MEN1 (0.53) MEN1KMT2AGAACTSSCTSK
SCHEMBL5064538 0.89 MEN1 (0.52) MEN1KMT2AGAACTSSCTSK
SCHEMBL4884730 0.88 MEN1 (0.49) MEN1KMT2AGAACTSSCTSK
SCHEMBL4879784 0.87 MEN1 (0.53) MEN1KMT2AGAACTSSCTSK
SCHEMBL4879773 0.87 MEN1 (0.53) MEN1KMT2AGAACTSSCTSK
SCHEMBL4887200 0.85 MEN1 (0.51) MEN1KMT2AGAACTSSCTSK
SCHEMBL4653243 0.85 MEN1 (0.57) MEN1KMT2AGAACTSSCTSK
SCHEMBL4056592 0.85 MEN1 (0.54) MEN1KMT2AGAACTSSCTSK
SCHEMBL14029711 0.85 MEN1 (0.54) MEN1KMT2AGAACTSSCTSK
SCHEMBL12179560 0.84 TDP1 (0.58) MEN1KMT2AGAACTSSCTSK

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 1513/4885KMT2A 1254/4885GAA 3747/4885
US-20080306040-A1 Antibacterial amide macrocycles VII AADAC, AAAS, NOD2 MEN1 2121/4885KMT2A 3625/4885GAA 260/4885

“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.