SCHEMBL3178783

SCHEMBL3178783

CC(C)(C)OC(=O)NCCCC(COS(C)(=O)=O)NC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
GAA P10253 1/20 0.54
KMT2A Q03164 1/20 0.54
TDP1 Q9NUW8 1/20 0.46
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
CA1 P00915 12/20 0.40
CA2 P00918 12/20 0.40
CA12 O43570 6/20 0.40
CA9 Q16790 6/20 0.40
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
SYK P43405 1/20 0.36
STK17B O94768 1/20 0.36
STK17A Q9UEE5 1/20 0.36
CAPN1 P07384 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
SCHEMBL3178780 1.00 MEN1 (0.54) MEN1GAAKMT2ATDP1MAOA
SCHEMBL3178776 1.00 MEN1 (0.54) MEN1GAAKMT2ATDP1MAOA
SCHEMBL5068280 0.96 MEN1 (0.49) MEN1GAAKMT2ATDP1MAOA
SCHEMBL5068283 0.96 MEN1 (0.49) MEN1GAAKMT2ATDP1MAOA
SCHEMBL5068282 0.96 MEN1 (0.49) MEN1GAAKMT2ATDP1MAOA
SCHEMBL4852002 0.92 MEN1 (0.46) MEN1GAAKMT2ATDP1MAOA
SCHEMBL4852021 0.92 MEN1 (0.46) MEN1GAAKMT2ATDP1MAOA
SCHEMBL4852013 0.92 MEN1 (0.46) MEN1GAAKMT2ATDP1MAOA
SCHEMBL8076292 0.86 CTSK (0.48) CA1CA12CTSSCTSK
SCHEMBL6333389 0.86 KDM4E (0.38) MEN1GAAKMT2ACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7655643-B2 Antibacterial macrocycles with substituted biphenyl AICURIS GMBH & CO. KG (DE) 2010-02-02 US disclosed
US-20080275018-A1 ANTIBACTERIAL AMIDE-MACROCYCLES V AICURIS GMBH & CO. KG (DE) 2008-11-06 US disclosed
US-7446102-B2 Antibacterial amide macrocycles IV AICURIS GMBH & CO. KG (DE) 2008-11-04 US disclosed
US-20080076745-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV AICURIS GMBH & CO. KG (DE) 2008-03-27 US disclosed
US-20070099885-A1 Antibacterial macrocycles with substituted biphenyl AICURIS GMBH & CO. KG (DE) 2007-05-03 US disclosed
US-20050256037-A1 Antibacterial amide macrocyles BAYER HEALTHCARE AG (DE) 2005-11-17 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 (4 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-20080076745-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV NOD2, AAAS, AADAC MEN1 2081/4885GAA 342/4885KMT2A 3059/4885
US-20070099885-A1 Antibacterial macrocycles with substituted biphenyl NOD2, AHR, BCL2 MEN1 1957/4885GAA 810/4885KMT2A 3328/4885
US-20050256037-A1 Antibacterial amide macrocyles AADAC, PAM, NOD2 MEN1 1754/4885GAA 522/4885KMT2A 2507/4885
US-20080275018-A1 ANTIBACTERIAL AMIDE-MACROCYCLES V ARG1, HRH3, H1-0 MEN1 1513/4885GAA 3747/4885KMT2A 1254/4885

“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.