SCHEMBL4089459

SCHEMBL4089459

CC(C)(C)OC(=O)Nc1cccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)ON2C(=O)CCC2=O)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.46
ITGAV P06756 1/20 0.46
MGLL Q99685 2/20 0.45
NPY1R P25929 1/20 0.44
SYK P43405 1/20 0.44
CTSB P07858 5/20 0.43
CTSK P43235 2/20 0.43
CTSS P25774 1/20 0.43
CTSL P07711 5/20 0.43
BACE1 P56817 3/20 0.43
TOP2A P11388 1/20 0.43
TOP2B Q02880 1/20 0.43
ENPP2 Q13822 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
GSK3B P49841 1/20 0.42
ACE P12821 1/20 0.41
CASP1 P29466 1/20 0.41

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
SCHEMBL4088197 0.94 CTSB (0.47) ITGB3ITGAVMGLLNPY1RSYK
SCHEMBL2367312 0.86 KLK5 (0.54) ITGB3ITGAVMGLLSYKCTSB
SCHEMBL2367935 0.86 KLK5 (0.54) ITGB3ITGAVMGLLSYKCTSB
SCHEMBL2366818 0.85 ITGB3 (0.60) ITGB3ITGAVMGLLSYKCTSB
SCHEMBL2367199 0.85 ITGB3 (0.60) ITGB3ITGAVMGLLSYKCTSB
SCHEMBL7060490 0.84 CTSS (0.56) CTSBCTSKCTSSCTSLACE
SCHEMBL3171386 0.84 CTSS (0.56) CTSBCTSKCTSSCTSLACE
SCHEMBL1032021 0.84 CTSS (0.56) CTSBCTSKCTSSCTSLACE
SCHEMBL17039822 0.83 TACR1 (0.55) CTSBCTSKCTSSCTSLCASP1
SCHEMBL14488100 0.83 TACR1 (0.55) CTSBCTSKCTSSCTSLCASP1

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 2 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-20090203582-A1 LYSOBACTIN AMIDES BAYER HEALTHCARE AG (DE) 2009-08-13 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-20090203582-A1 LYSOBACTIN AMIDES AADAT, HAMP, DLST ITGB3 2258/4885ITGAV 768/4885MGLL 1373/4885

“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.