SCHEMBL6582855

SCHEMBL6582855

CC(C)C[C@@H](C=O)N(C)C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSB P07858 5/20 0.49
CTSK P43235 6/20 0.47
CTSS P25774 4/20 0.47
CTSL P07711 3/20 0.47
ABCB1 P08183 2/20 0.47
ALDH1A1 P00352 2/20 0.44
PSMB1 P20618 1/20 0.43
PSMB5 P28074 1/20 0.43
PSMB2 P49721 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL14304888 0.83 ABCB1 (0.51) CTSBCTSKCTSSCTSLABCB1
SCHEMBL567436 0.83 ABCB1 (0.51) CTSBCTSKCTSSCTSLABCB1
SCHEMBL7000046 0.81 CTSK (0.57) CTSBCTSKCTSSCTSLABCB1
SCHEMBL2300007 0.81 CTSK (0.57) CTSBCTSKCTSSCTSLABCB1
SCHEMBL16272898 0.81 CTSK (0.57) CTSBCTSKCTSSCTSLABCB1
SCHEMBL29789557 0.81 ABCB1 (0.49) CTSBCTSKCTSSCTSLABCB1
SCHEMBL2497060 0.81 CTSK (0.57) CTSBCTSKCTSSCTSLABCB1
SCHEMBL7417025 0.81 ABCB1 (0.49) CTSBCTSKCTSSCTSLABCB1
SCHEMBL9391793 0.81 CTSL (0.49) CTSBCTSKCTSSCTSLABCB1
SCHEMBL1014662 0.80 CTSB (0.44) CTSBCTSKCTSSCTSLALDH1A1

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-20040180927-A1 Inhibitors of cysteine protease SMITHKLINE BEECHAM CORPORATION 2004-09-16 US disclosed
EP-0936912-B1 INHIBITORS OF CYSTEINE PROTEASE SMITHKLINE BEECHAM CORP (US) 2004-02-11 EP disclosed
US-20020128476-A1 Inhibitors of cysteine protease SMITHKLINE BEECHAM CORPORATION 2002-09-12 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 (2 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-20040180927-A1 Inhibitors of cysteine protease CTSK, CTSZ, CTSS CTSB 5/4885CTSK 1/4885CTSS 3/4885
US-20020128476-A1 Inhibitors of cysteine protease CTRC, RCE1, CTRL CTSB 60/4885CTSK 100/4885CTSS 4/4885

“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.