SCHEMBL17106929

SCHEMBL17106929

COc1ccc(C[C@H](NC(=O)C2(NC(=O)OCc3ccccc3)CC2)C(=O)N[C@@H](Cc2ccccc2)C(O)C(=O)NCc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 3/20 0.54
PSMB1 P20618 2/20 0.49
F2 P00734 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
CTSL P07711 3/20 0.45
CTSS P25774 3/20 0.45
CTSK P43235 2/20 0.45
KLKB1 P03952 2/20 0.45
PSMB11 A5LHX3 1/20 0.44
PSMA7 O14818 1/20 0.44
PSMA1 P25786 1/20 0.44
PSMA2 P25787 1/20 0.44
PSMA3 P25788 1/20 0.44
PSMA4 P25789 1/20 0.44
PSMB8 P28062 1/20 0.44
PSMB9 P28065 1/20 0.44
PSMA5 P28066 1/20 0.44
PSMB4 P28070 1/20 0.44
PSMB6 P28072 1/20 0.44
PSMB5 P28074 1/20 0.44

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
SCHEMBL17106927 1.00 CTSD (0.54) CTSDPSMB1F2HDAC8CTSL
SCHEMBL17106928 1.00 CTSD (0.54) CTSDPSMB1F2HDAC8CTSL
SCHEMBL17106914 0.87 CAPN1 (0.51) CTSDF2HDAC8CTSLCTSS
SCHEMBL17107010 0.85 CTSD (0.61) CTSDPSMB1F2HDAC8CTSL
SCHEMBL17107006 0.85 CTSD (0.61) CTSDPSMB1F2HDAC8CTSL
SCHEMBL17107007 0.85 CTSD (0.61) CTSDPSMB1F2HDAC8CTSL
SCHEMBL17107009 0.85 CTSD (0.61) CTSDPSMB1F2HDAC8CTSL
SCHEMBL16464284 0.84 CYP3A4 (0.56) F2HDAC8CTSLCTSSCTSK
SCHEMBL17106926 0.84 CYP3A4 (0.56) F2HDAC8CTSLCTSSCTSK
SCHEMBL17107003 0.84 KLKB1 (0.52) CTSDKLKB1ATMTSHR

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-20150274777-A1 KETOAMIDE IMMUNOPROTEASOME INHIBITORS HOFFMANN-LA ROCHE INC. 2015-10-01 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-20150274777-A1 KETOAMIDE IMMUNOPROTEASOME INHIBITORS PSMB7, PSMB5, PSMC2 CTSD 341/4885PSMB1 7/4885F2 2101/4885

“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.