SCHEMBL3957702

SCHEMBL3957702

CC(C)(C)OC(=O)NCCC[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCCNC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
ADAM17 P78536 1/20 0.44
PRCP P42785 2/20 0.44
HDAC1 Q13547 3/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC4 P56524 2/20 0.43
CXCR3 P49682 1/20 0.43
DPP7 Q9UHL4 1/20 0.42
EPHX1 P07099 1/20 0.40
CTSS P25774 2/20 0.40
CTSK P43235 2/20 0.40
HDAC3 O15379 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 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
SCHEMBL30392291 0.83 ADAM17 (0.42) MEN1KMT2AGAAADAM17PRCP
SCHEMBL13997573 0.82 DPP7 (0.47) MEN1KMT2APRCPHDAC1HDAC6
SCHEMBL7345915 0.81 PRCP (0.64) MEN1KMT2AGAAPRCPCA1
SCHEMBL13767206 0.81 PRCP (0.56) MEN1KMT2AGAAPRCPDPP7
SCHEMBL5033162 0.77 PRCP (0.61) MEN1KMT2AGAAPRCPCA1
SCHEMBL23039353 0.77 PRCP (0.48) MEN1KMT2APRCPHDAC1HDAC6
SCHEMBL23039355 0.77 PRCP (0.48) MEN1KMT2APRCPHDAC1HDAC6
SCHEMBL22127949 0.77 PRCP (0.48) MEN1KMT2APRCPHDAC1HDAC6
SCHEMBL23039354 0.77 PRCP (0.48) MEN1KMT2APRCPHDAC1HDAC6
SCHEMBL4887762 0.76 MEN1 (0.61) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1866291-B1 ANTIBACTERIAL AMIDE MACROCYCLES VI AICURIS GMBH & CO KG (DE) 2009-07-15 EP disclosed
US-20080300231-A1 Antibacterial amide macrocycles VI BAYER HEALTHCARE AG (DE) 2008-12-04 US disclosed
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.