SCHEMBL5520701

SCHEMBL5520701

CSc1ccc([C@@H](O[C@@H](CC(C)C)C(=O)O)c2ccc(Br)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.42
AKR1C3 P42330 3/20 0.39
AKR1C2 P52895 3/20 0.39
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP7 P09237 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
CTSK P43235 5/20 0.37
CTSL P07711 3/20 0.36
CTSB P07858 3/20 0.36
CTSS P25774 3/20 0.36
SDCBP O00560 1/20 0.36
SDC2 P34741 1/20 0.36
MME P08473 1/20 0.36
GRIK1 P39086 1/20 0.35
GRIK2 Q13002 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL5520704 1.00 FPR2 (0.42) FPR2AKR1C3AKR1C2MMP1MMP2
SCHEMBL5512480 0.87 CHRM2 (0.43) FPR2MMP1MMP2MMP3MMP7
SCHEMBL5512484 0.87 CHRM2 (0.43) FPR2MMP1MMP2MMP3MMP7
SCHEMBL6168522 0.84 PPARG (0.48) FPR2MMP1MMP2MMP3MMP7
SCHEMBL5516590 0.84 PPARG (0.48) FPR2MMP1MMP2MMP3MMP7
SCHEMBL5510848 0.84 FPR2 (0.39) FPR2MMP1MMP2MMP3MMP7
SCHEMBL5516586 0.84 PPARG (0.48) FPR2MMP1MMP2MMP3MMP7
SCHEMBL5516079 0.82 CYP19A1 (0.38) FPR2AKR1C3AKR1C2MMP1MMP2
SCHEMBL5522112 0.81 CTSK (0.50) FPR2AKR1C3AKR1C2MMP1MMP2
SCHEMBL5522107 0.81 CTSK (0.50) FPR2AKR1C3AKR1C2MMP1MMP2

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 FPR2 2775/4885AKR1C3 2398/4885AKR1C2 2538/4885

“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.