SCHEMBL5063456

SCHEMBL5063456

COC(=O)CC(Cc1cccc(-c2ccc(OCc3ccccc3)c(C[C@H](NC(=O)OCc3ccccc3)C(=O)OCC[Si](C)(C)C)c2)c1)NC(=O)[C@H](CCCNC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 2/20 0.41
KLK5 Q9Y337 2/20 0.41
MAPT P10636 2/20 0.41
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
REN P00797 1/20 0.37
PTPN1 P18031 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
PSMB8 P28062 1/20 0.36
PSMB9 P28065 1/20 0.36
PSMB5 P28074 1/20 0.36
PTPN22 Q9Y2R2 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 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
SCHEMBL4877422 0.92 KLK7 (0.43) KLK7KLK5MAPTCTSBCTSS
SCHEMBL5063469 0.92 CTSB (0.42) KLK7KLK5MAPTCTSBCTSS
SCHEMBL14497783 0.91 MAPT (0.46) KLK7KLK5MAPTCTSSITGB3
SCHEMBL5063416 0.89 KLK7 (0.40) KLK7KLK5MAPTCTSBCTSS
SCHEMBL13479162 0.88 KLK7 (0.44) KLK7KLK5MAPTITGB3ITGA2B
SCHEMBL13479151 0.87 KLK7 (0.43) KLK7KLK5MAPTCTSSCTSK
SCHEMBL5058878 0.85 PTGER4 (0.44) CTSSCTSKITGB3
SCHEMBL13479127 0.85 CTSS (0.49) KLK7MAPTCTSBCTSSCTSK
SCHEMBL14534407 0.85 PTGER4 (0.48) KLK7KLK5MAPTCTSBCTSS
SCHEMBL4880594 0.84 PTGER4 (0.48) KLK7KLK5MAPTCTSBCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080306040-A1 Antibacterial amide macrocycles VII AICURIS GMBH & CO. KG (DE) 2008-12-11 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-20080306040-A1 Antibacterial amide macrocycles VII AADAC, AAAS, NOD2 KLK7 2611/4885KLK5 3035/4885MAPT 4392/4885

“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.