SCHEMBL5526282

SCHEMBL5526282

CC(C)C[C@H](O[C@H](c1ccccc1)c1ccc(-c2cccnc2)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
MKNK1 Q9BUB5 4/20 0.44
MKNK2 Q9HBH9 4/20 0.44
NTSR1 P30989 1/20 0.42
GPR88 Q9GZN0 1/20 0.42
PSMB5 P28074 1/20 0.41
PTGS2 P35354 1/20 0.40
CYP17A1 P05093 1/20 0.39
KMO O15229 1/20 0.39
ADAMTS4 O75173 1/20 0.39
CYP3A4 P08684 1/20 0.39
HSD11B1 P28845 1/20 0.39
KCNA5 P22460 1/20 0.39

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
SCHEMBL5526290 1.00 CTSL (0.46) CTSLCTSSCTSKAKR1C3AKR1C2
SCHEMBL5517074 0.88 ROCK1 (0.46) CTSLCTSSCTSKAKR1C3AKR1C2
SCHEMBL5517080 0.88 ROCK1 (0.46) CTSLCTSSCTSKAKR1C3AKR1C2
SCHEMBL5512613 0.86 P2RX7 (0.41) CTSSCTSKPTGS2
SCHEMBL5512609 0.86 P2RX7 (0.41) CTSSCTSKPTGS2
SCHEMBL5509585 0.85 CTSK (0.62) CTSLCTSSCTSK
SCHEMBL5509590 0.85 CTSK (0.62) CTSLCTSSCTSK
SCHEMBL5511114 0.83 FPR2 (0.41) CTSLCTSSCTSKAKR1C3AKR1C2
SCHEMBL6170700 0.82 LMNA (0.43)
SCHEMBL5520718 0.82 LMNA (0.43)

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
US-7279478-B2 Cathepsin cysteine protease inhibitors MERCK FROSST CANADA & CO. (CA) 2007-10-09 US disclosed
US-20060122268-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2006-06-08 US disclosed
EP-1537074-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA INC. (CA) 2005-06-08 EP disclosed
WO-2004022526-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA & CO. (CA) 2004-03-18 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-20060122268-A1 Cathepsin cysteine protease inhibitors CTSB, CTSS, CTSK CTSL 8/4885CTSS 2/4885CTSK 3/4885

“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.