SCHEMBL17106947

SCHEMBL17106947

CCCCC(NC(=O)OC(C)(C)C)[C@H](O)C(=O)NCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.65
ATM Q13315 1/20 0.48
CTSS P25774 4/20 0.47
CCKBR P32239 1/20 0.47
BACE1 P56817 1/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47

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
SCHEMBL16462512 1.00 CTSK (0.65) CTSKATMCTSSCCKBRBACE1
SCHEMBL5457816 0.89 CTSK (0.55) CTSKATMCTSSBACE1CTSL
SCHEMBL5457812 0.89 CTSK (0.55) CTSKATMCTSSBACE1CTSL
SCHEMBL8369521 0.88 CYP3A4 (0.52) CTSK
SCHEMBL17097354 0.86 ATM (0.58) CTSKATMCTSSBACE1CTSL
SCHEMBL16482788 0.86 ATM (0.58) CTSKATMCTSSBACE1CTSL
SCHEMBL16463143 0.86 ATM (0.58) CTSKATMCTSSBACE1CTSL
SCHEMBL10571494 0.84 BACE1 (0.60) BACE1
SCHEMBL7429906 0.83 CTSK (0.49) CTSKATMCTSSBACE1CTSL
SCHEMBL17106924 0.82 CTSK (0.65) CTSKCTSSCTSLCTSB

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 CTSK 114/4885ATM 4475/4885CTSS 131/4885

“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.