SCHEMBL5522112

SCHEMBL5522112

CC(C)C[C@H](OC(c1ccc(Br)cc1)c1ccc(S(C)(=O)=O)cc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.50
MMP2 P08253 5/20 0.45
MMP1 P03956 4/20 0.45
MMP3 P08254 4/20 0.45
MMP7 P09237 4/20 0.45
MMP9 P14780 4/20 0.45
MMP13 P45452 4/20 0.45
AKR1C3 P42330 3/20 0.40
AKR1C2 P52895 2/20 0.39
FPR2 P25090 1/20 0.37
MMP14 P50281 1/20 0.37
CTSS P25774 3/20 0.37
CTSL P07711 2/20 0.37
CTSB P07858 2/20 0.37
GRM4 Q14833 1/20 0.36

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
SCHEMBL5522107 1.00 CTSK (0.50) CTSKMMP2MMP1MMP3MMP7
SCHEMBL5512480 0.85 CHRM2 (0.43) CTSKMMP2MMP1MMP3MMP7
SCHEMBL5512484 0.85 CHRM2 (0.43) CTSKMMP2MMP1MMP3MMP7
SCHEMBL5512913 0.84 CTSK (0.67) CTSKCTSSCTSLCTSB
SCHEMBL5512914 0.84 CTSK (0.67) CTSKCTSSCTSLCTSB
SCHEMBL5510848 0.83 FPR2 (0.39) CTSKMMP2MMP1MMP3MMP7
SCHEMBL5516590 0.83 PPARG (0.48) CTSKMMP2MMP1MMP3MMP7
SCHEMBL6168522 0.83 PPARG (0.48) CTSKMMP2MMP1MMP3MMP7
SCHEMBL5516586 0.83 PPARG (0.48) CTSKMMP2MMP1MMP3MMP7
SCHEMBL5520701 0.81 FPR2 (0.42) CTSKMMP2MMP1MMP3MMP7

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 CTSK 3/4885MMP2 113/4885MMP1 140/4885

“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.