SCHEMBL17106914

SCHEMBL17106914

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 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 10/20 0.51
CTSB P07858 4/20 0.51
F2 P00734 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
CTSL P07711 1/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
CTSD P07339 1/20 0.46

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
SCHEMBL16462935 0.89 CAPN1 (0.47) CAPN1CTSBCTSLCTSSCTSK
SCHEMBL17106928 0.87 CTSD (0.54) CTSBF2HDAC8CTSLCTSS
SCHEMBL17106927 0.87 CTSD (0.54) CTSBF2HDAC8CTSLCTSS
SCHEMBL17106929 0.87 CTSD (0.54) CTSBF2HDAC8CTSLCTSS
SCHEMBL17106926 0.85 CYP3A4 (0.56) CTSBF2HDAC8CTSLCTSS
SCHEMBL16464284 0.85 CYP3A4 (0.56) CTSBF2HDAC8CTSLCTSS
SCHEMBL16482790 0.85 CAPN1 (0.58) CAPN1CTSBF2HDAC8CTSL
SCHEMBL16463253 0.85 CAPN1 (0.49) CAPN1CTSD
SCHEMBL17106905 0.85 ATM (0.54) CTSBHDAC8CTSLCTSSCTSK
SCHEMBL16463321 0.85 ATM (0.54) CTSBHDAC8CTSLCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150274777-A1 KETOAMIDE IMMUNOPROTEASOME INHIBITORS HOFFMANN-LA ROCHE INC. 2015-10-01 US claimed
US-20150274777-A1 KETOAMIDE IMMUNOPROTEASOME INHIBITORS HOFFMANN-LA ROCHE INC. 2015-10-01 US disclosed
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 CAPN1 566/4885CTSB 255/4885F2 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.