SCHEMBL4886890

SCHEMBL4886890

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
GAA P10253 1/20 0.51
TDP1 Q9NUW8 2/20 0.47
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.39
SIRT5 Q9NXA8 1/20 0.39
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CTSK P43235 2/20 0.38
CTSS P25774 1/20 0.38
CAPN1 P07384 1/20 0.37
KLK7 P49862 1/20 0.36
KLK5 Q9Y337 1/20 0.36

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
SCHEMBL4886861 0.96 MEN1 (0.56) MEN1KMT2AGAATDP1MAOA
SCHEMBL4883369 0.89 MEN1 (0.53) MEN1KMT2AGAATDP1MAOA
SCHEMBL4883374 0.89 MEN1 (0.53) MEN1KMT2AGAATDP1MAOA
SCHEMBL4886915 0.88 MEN1 (0.58) MEN1KMT2AGAATDP1MAOA
SCHEMBL4880354 0.88 MEN1 (0.47) MEN1KMT2AGAATDP1MAOA
SCHEMBL12954630 0.86 MEN1 (0.46) MEN1KMT2AGAATDP1MAOA
SCHEMBL4884730 0.85 MEN1 (0.49) MEN1KMT2AGAATDP1CA1
SCHEMBL4883741 0.85 MEN1 (0.49) MEN1KMT2AGAATDP1MAOA
SCHEMBL12954639 0.85 MEN1 (0.46) MEN1KMT2AGAATDP1MAOA
SCHEMBL14029741 0.85 MEN1 (0.47) 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 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 1513/4885KMT2A 1254/4885GAA 3747/4885

“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.