SCHEMBL5068282

SCHEMBL5068282

CC(C)(C)OC(=O)NCCCC[C@H](COS(C)(=O)=O)NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
GAA P10253 1/20 0.49
TDP1 Q9NUW8 3/20 0.48
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
CA1 P00915 10/20 0.42
CA2 P00918 10/20 0.42
CA12 O43570 6/20 0.41
CA9 Q16790 6/20 0.41
ATM Q13315 1/20 0.40
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL5068280 1.00 MEN1 (0.49) MEN1KMT2AGAATDP1MAOA
SCHEMBL5068283 1.00 MEN1 (0.49) MEN1KMT2AGAATDP1MAOA
SCHEMBL3178783 0.96 MEN1 (0.54) MEN1KMT2AGAATDP1MAOA
SCHEMBL3178780 0.96 MEN1 (0.54) MEN1KMT2AGAATDP1MAOA
SCHEMBL3178776 0.96 MEN1 (0.54) MEN1KMT2AGAATDP1MAOA
SCHEMBL4852002 0.91 MEN1 (0.46) MEN1KMT2AGAATDP1MAOA
SCHEMBL4852013 0.91 MEN1 (0.46) MEN1KMT2AGAATDP1MAOA
SCHEMBL4852021 0.91 MEN1 (0.46) MEN1KMT2AGAATDP1MAOA
SCHEMBL4785511 0.86 CTSK (0.43)
SCHEMBL6333387 0.85 KDM4E (0.38) MEN1KMT2AGAACA1CA2

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-20080300231-A1 Antibacterial amide macrocycles VI BAYER HEALTHCARE AG (DE) 2008-12-04 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-20080300231-A1 Antibacterial amide macrocycles VI AADAC, AAAS, NOD2 MEN1 1894/4885KMT2A 3331/4885GAA 297/4885

“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.