SCHEMBL5520599

SCHEMBL5520599

CC(C)C[C@H](O[C@@H](c1ccc(Br)cc1)c1cccs1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.36
POLB P06746 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 1/20 0.35
SLC6A3 Q01959 3/20 0.35
CTSK P43235 2/20 0.35
ALOX5 P09917 2/20 0.35
CYP2C9 P11712 2/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP7 P09237 1/20 0.34

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
SCHEMBL5520602 1.00 FPR2 (0.36) FPR2POLBL3MBTL1SMN1; SMN2TSHR
SCHEMBL5516241 0.86 CTSK (0.52) CTSK
SCHEMBL5516246 0.86 CTSK (0.52) CTSK
SCHEMBL5512484 0.83 CHRM2 (0.43) FPR2SMN1; SMN2SLC6A3CTSKCYP2C9
SCHEMBL5512480 0.83 CHRM2 (0.43) FPR2SMN1; SMN2SLC6A3CTSKCYP2C9
SCHEMBL5516079 0.79 CYP19A1 (0.38) FPR2CTSKLMNAKDM4EMMP1
SCHEMBL6168522 0.79 PPARG (0.48) FPR2POLBCTSKLMNAALDH1A1
SCHEMBL5510848 0.79 FPR2 (0.39) FPR2SLC6A3CTSKLMNAMMP1
SCHEMBL5516590 0.79 PPARG (0.48) FPR2POLBCTSKLMNAALDH1A1
SCHEMBL5516586 0.79 PPARG (0.48) FPR2POLBCTSKLMNAALDH1A1

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 2775/4885POLB 2640/4885L3MBTL1 441/4885

“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.