SCHEMBL3043930

SCHEMBL3043930

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.37
CTSS P25774 5/20 0.37
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
MIF P14174 1/20 0.35
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
RECQL P46063 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
BTK Q06187 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL3043929 1.00 CTSK (0.37) CTSKCTSSMAPTMEN1GAA
SCHEMBL3043925 1.00 CTSK (0.37) CTSKCTSSMAPTMEN1GAA
SCHEMBL20240615 0.84
SCHEMBL2373368 0.83 DGAT1 (0.35) CTSKCTSSMAPTMEN1GAA
SCHEMBL2367439 0.83 DGAT1 (0.35) CTSKCTSSMAPTMEN1GAA
SCHEMBL2373365 0.82 CTSK (0.38) CTSKCTSSMAPTMEN1GAA
SCHEMBL18762595 0.81 CTSK (0.36) CTSKCTSSMAPTMEN1GAA
SCHEMBL18762597 0.81 CTSK (0.36) CTSKCTSSMAPTMEN1GAA
SCHEMBL16594102 0.81 CTSK (0.37) CTSKCTSSMAPTMEN1GAA
SCHEMBL16594101 0.81 CTSK (0.37) CTSKCTSSMAPTMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076285-B2 Lysobactin amides AICURIS GMBH & CO. KG (DE) 2011-12-13 US disclosed
US-7718611-B2 Cyclic nonapeptide amides AICURIS GMBH & CO. KG (DE) 2010-05-18 US disclosed
US-20090203582-A1 LYSOBACTIN AMIDES BAYER HEALTHCARE AG (DE) 2009-08-13 US disclosed
US-20080070884-A1 Antibiotics; novel class of cell wall biosynthesis inhibitors without cross-resistances to known classes of antibiotics; active analogs of lysobactin with a higher ring stability AICURIS GMBH & CO. KG (DE) 2008-03-20 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 (2 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-20080070884-A1 Antibiotics; novel class of cell wall biosynthesis inhibitors without cross-resistances to known classes of antibiotics; active analogs of lysobactin with a higher ring stability AAAS, PGLS, NRDC CTSK 682/4885CTSS 339/4885MAPT 3615/4885
US-20090203582-A1 LYSOBACTIN AMIDES AADAT, HAMP, DLST CTSK 1058/4885CTSS 660/4885MAPT 1583/4885

“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.