SCHEMBL4889692

SCHEMBL4889692

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.47
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
ITGB3 P05106 5/20 0.46
ITGAV P06756 1/20 0.46
PTPN1 P18031 2/20 0.44
ACE P12821 2/20 0.44
ITGA2B P08514 4/20 0.44
SCN9A Q15858 2/20 0.43
TACR1 P25103 1/20 0.42
SYK P43405 1/20 0.41
PPARA Q07869 1/20 0.41
ITGA4 P13612 1/20 0.41
ITGB7 P26010 1/20 0.41
KIFC1 Q9BW19 1/20 0.40
EPHX2 P34913 1/20 0.40
BCL2 P10415 1/20 0.40

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
SCHEMBL13479127 0.97 CTSS (0.49) CTSBCTSSCTSKITGB3ITGAV
SCHEMBL1023687 0.94 TACR1 (0.47) CTSBCTSSCTSKSCN9ATACR1
SCHEMBL4847576 0.94 TACR1 (0.47) CTSBCTSSCTSKSCN9ATACR1
SCHEMBL14497710 0.91 CTSS (0.46) CTSBCTSSCTSKPTPN1TACR1
SCHEMBL13479136 0.90 CTSS (0.42) CTSBCTSSCTSKITGB3PTPN1
SCHEMBL13479128 0.90 TACR1 (0.46) CTSBCTSSCTSKSCN9ATACR1
SCHEMBL5063469 0.90 CTSB (0.42) CTSBCTSSCTSKITGB3ITGAV
SCHEMBL13479129 0.89 TACR1 (0.43) CTSBCTSSCTSKSCN9ATACR1
SCHEMBL13479135 0.89 TACR1 (0.43) CTSBCTSSCTSKPTPN1SCN9A
SCHEMBL14497714 0.89 CTSS (0.45) CTSBCTSSCTSKPTPN1SCN9A

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-20080275018-A1 ANTIBACTERIAL AMIDE-MACROCYCLES V AICURIS GMBH & CO. KG (DE) 2008-11-06 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-20080275018-A1 ANTIBACTERIAL AMIDE-MACROCYCLES V ARG1, HRH3, H1-0 CTSB 1334/4885CTSS 1049/4885CTSK 1658/4885

“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.