SCHEMBL6229850

SCHEMBL6229850

CC(C)(C)OC(=O)NC1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1=O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.43
CTSL P07711 4/20 0.43
CTSS P25774 3/20 0.43
BACE1 P56817 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DRD2 P14416 2/20 0.38
KCNA3 P22001 1/20 0.37
CTSB P07858 2/20 0.37

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
SCHEMBL29123195 0.83 CA1 (0.52) KMT2AL3MBTL1DRD2
SCHEMBL14040698 0.83 CTSK (0.57) CTSKCTSLCTSSKMT2AL3MBTL1
SCHEMBL29860886 0.83 CA1 (0.52) KMT2AL3MBTL1DRD2
SCHEMBL2952653 0.83 CA1 (0.52) KMT2AL3MBTL1DRD2
SCHEMBL6225501 0.81 USP30 (0.40) BACE1KMT2AL3MBTL1
SCHEMBL3489490 0.79 HSD11B1 (0.50) CTSKKCNA3
SCHEMBL14428332 0.77 KMT2A (0.44) BACE1KMT2AL3MBTL1DRD2
SCHEMBL6010052 0.77 USP30 (0.54) BACE1
SCHEMBL25539152 0.77 FDFT1 (0.46)
SCHEMBL31037767 0.76 KMT2A (0.46) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401453-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2005-04-06 EP disclosed
US-20040157828-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2004-08-12 US disclosed
EP-1401453-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-03-31 EP disclosed
WO-2002092563-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-11-21 WO 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-20040157828-A1 Protease inhibitors CTSK, MMP13, CTSZ CTSK 1/4885CTSL 25/4885CTSS 10/4885

“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.