SCHEMBL3082046

SCHEMBL3082046

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

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
GAA P10253 1/20 0.55
TDP1 Q9NUW8 5/20 0.54
CA1 P00915 6/20 0.49
CA2 P00918 6/20 0.49
CA12 O43570 3/20 0.49
CA9 Q16790 3/20 0.49
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
ATM Q13315 2/20 0.43
NPSR1 Q6W5P4 3/20 0.42
MAPT P10636 2/20 0.42
POLB P06746 2/20 0.42
CTSS P25774 1/20 0.39
CTSK P43235 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
SCHEMBL8062203 0.87 TDP1 (0.59) MEN1KMT2AGAATDP1CA1
SCHEMBL20358461 0.87 MEN1 (0.56) MEN1KMT2AGAATDP1CA1
SCHEMBL23168272 0.87 TDP1 (0.59) MEN1KMT2AGAATDP1CA1
SCHEMBL10190369 0.87 TDP1 (0.59) MEN1KMT2AGAATDP1CA1
SCHEMBL13767609 0.85 MEN1 (0.55) MEN1KMT2AGAATDP1CA1
SCHEMBL22162664 0.85 MEN1 (0.55) MEN1KMT2AGAATDP1CA1
SCHEMBL3082048 0.85 MEN1 (0.55) MEN1KMT2AGAATDP1CA1
SCHEMBL13405019 0.84 MEN1 (0.54) MEN1KMT2AGAATDP1CA1
SCHEMBL13959018 0.83 MEN1 (0.52) MEN1KMT2AGAATDP1CA1
SCHEMBL6244166 0.82 MEN1 (0.62) MEN1KMT2AGAATDP1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100273789-A1 AMINOACYL PRODRUGS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-10-28 US disclosed
EP-2209776-A1 AMINOACYL PRODRUGS AS AN ACTIVE PHARMACEUTICAL INGREDIENT FOR THROMBOEMBOLIC DISORDER Bayer Schering Pharma AG (DE) 2010-07-28 EP disclosed
EP-2084154-A1 AMINOACYL PRODRUG DERIVATIVES AND MEDICAMENTS FOR TREATMENT OF THROMBOEMBOLIC DISORDERS Bayer Schering Pharma Aktiengesellschaft (DE) 2009-08-05 EP disclosed
WO-2009007026-A1 AMINOACYL PRODRUGS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-15 WO disclosed
WO-2008022786-A1 AMINOACYL PRODRUG DERIVATIVES AND MEDICAMENTS FOR TREATMENT OF THROMBOEMBOLIC DISORDERS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-02-28 WO 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-20100273789-A1 AMINOACYL PRODRUGS AADAC, DNPEP, AADAT MEN1 3362/4885KMT2A 1315/4885GAA 1667/4885

“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.