SCHEMBL5063469

SCHEMBL5063469

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
SYK P43405 1/20 0.41
TACR1 P25103 2/20 0.39
SCN9A Q15858 1/20 0.38
KLK7 P49862 2/20 0.38
KLK5 Q9Y337 2/20 0.38
ITGB3 P05106 1/20 0.37
ITGAV P06756 1/20 0.37
MAPT P10636 2/20 0.37
REN P00797 1/20 0.37
CACNA1B Q00975 1/20 0.37
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
EPHX2 P34913 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
SCHEMBL5063456 0.92 KLK7 (0.41) CTSBCTSSCTSKKLK7KLK5
SCHEMBL13479127 0.91 CTSS (0.49) CTSBCTSSCTSKSYKTACR1
SCHEMBL4889692 0.90 CTSB (0.47) CTSBCTSSCTSKSYKTACR1
SCHEMBL1023687 0.90 TACR1 (0.47) CTSBCTSSCTSKSYKTACR1
SCHEMBL4847576 0.90 TACR1 (0.47) CTSBCTSSCTSKSYKTACR1
SCHEMBL14497714 0.86 CTSS (0.45) CTSBCTSSCTSKSYKTACR1
Hydrochloric Acid SCHEMBL5063426 0.86 ITGB3 (0.39) CTSBCTSSCTSKITGB3ITGAV
SCHEMBL13479128 0.86 TACR1 (0.46) CTSBCTSSCTSKSYKTACR1
SCHEMBL14497710 0.86 CTSS (0.46) CTSBCTSSCTSKTACR1MAPT
SCHEMBL13479135 0.86 TACR1 (0.43) CTSBCTSSCTSKSYKTACR1

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 CTSB 60/4885CTSS 88/4885CTSK 93/4885

“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.