SCHEMBL3020667

SCHEMBL3020667

O=C(O)CC(CC1CCC2(CC1)CC2)C(=O)N1C(=O)OCC1Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.39
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP12 P39900 1/20 0.35
IL6ST P40189 1/20 0.35
PDF Q9HBH1 2/20 0.35
CSNK2B P67870 1/20 0.34
CSNK2A1 P68400 1/20 0.34
IDH1 O75874 8/20 0.34
NAAA Q02083 1/20 0.34
AGTR2 P50052 1/20 0.34
FAAH O00519 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33

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
SCHEMBL3020671 1.00 PPARA (0.39) PPARAMMP2MMP9MMP12IL6ST
SCHEMBL8438051 0.90 MMP2 (0.44) PPARAMMP2MMP9MMP12IL6ST
SCHEMBL7088311 0.90 MMP2 (0.44) PPARAMMP2MMP9MMP12IL6ST
SCHEMBL8438047 0.90 MMP2 (0.44) PPARAMMP2MMP9MMP12IL6ST
SCHEMBL7088313 0.90 MMP2 (0.44) PPARAMMP2MMP9MMP12IL6ST
SCHEMBL19819290 0.89 MMP2 (0.43) PPARAMMP2MMP9MMP12IL6ST
SCHEMBL19819288 0.89 MMP2 (0.43) PPARAMMP2MMP9MMP12IL6ST
SCHEMBL19819289 0.89 MMP2 (0.43) PPARAMMP2MMP9MMP12IL6ST
SCHEMBL3012744 0.88 PPARA (0.37) PPARAIL6STPDFCSNK2BCSNK2A1
SCHEMBL3021441 0.88 PPARA (0.37) PPARAIL6STPDFCSNK2BCSNK2A1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204200-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2010-08-12 US disclosed
US-7732449-B2 Inhibitors of cathepsin S IRM LLC (BM) 2010-06-08 US disclosed
EP-1658267-B1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2009-10-14 EP disclosed
US-20090137570-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2009-05-28 US disclosed
US-7501408-B2 Inhibitors of cathepsin S IRM LLC (BM) 2009-03-10 US disclosed
US-20080108595-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2008-05-08 US disclosed
US-7314872-B2 Inhibitors of cathepsin S IRM LLC (BM) 2008-01-01 US disclosed
EP-1658267-A4 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2007-08-01 EP disclosed
EP-1658267-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2006-05-24 EP disclosed
US-20050113356-A1 Inhibitors of cathepsin S IRM LLC (BM) 2005-05-26 US disclosed
WO-2005034848-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2005-04-21 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 (4 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-20090137570-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ PPARA 3398/4885MMP2 101/4885MMP9 254/4885
US-20080108595-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ PPARA 3398/4885MMP2 101/4885MMP9 254/4885
US-20050113356-A1 Inhibitors of cathepsin S CTSS, CTSB, CTSZ PPARA 3398/4885MMP2 101/4885MMP9 254/4885
US-20100204200-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSE, CTSV PPARA 2508/4885MMP2 209/4885MMP9 173/4885

“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.