SCHEMBL3019566

SCHEMBL3019566

NC(=O)Oc1ccc(NCCNC(=O)[CH]CC2CCCCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSS P25774 17/20 0.39
EPHX1 P07099 1/20 0.39
CTSK P43235 8/20 0.39
CTSL P07711 13/20 0.38
EPHX2 P34913 1/20 0.37

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
SCHEMBL5842460 0.89 CTSS (0.42) CTSSEPHX1CTSKCTSL
SCHEMBL5843360 0.84 CTSS (0.53) CTSSEPHX1CTSKCTSLEPHX2
SCHEMBL4796091 0.83 CTSS (0.38) CTSSCTSKCTSLEPHX2
SCHEMBL5843937 0.75 CTSK (0.38) CTSSEPHX1CTSKCTSL
SCHEMBL5841917 0.75 PARP10 (0.39)
SCHEMBL5841430 0.74 CTSS (0.40) CTSSEPHX1CTSKCTSLEPHX2
SCHEMBL3017456 0.73 RAB9A (0.40) CTSSEPHX1CTSL
SCHEMBL4796236 0.71 MAPT (0.45) CTSSCTSKCTSL
SCHEMBL3014755 0.70 EPHX2 (0.47) CTSSEPHX1CTSKCTSLEPHX2
SCHEMBL4801077 0.70 EPHX2 (0.47) CTSSEPHX1CTSKCTSLEPHX2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1658267-B1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2009-10-14 EP claimed
US-7314872-B2 Inhibitors of cathepsin S IRM LLC (BM) 2008-01-01 US claimed
EP-1658267-A4 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2007-08-01 EP claimed
JP-2007502836-A 2007-02-15 JP claimed
US-7109243-B2 Inhibitors of cathepsin S IRM LLC (BM) 2006-09-19 US claimed
EP-1658267-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2006-05-24 EP claimed
US-20050113356-A1 Inhibitors of cathepsin S IRM LLC (BM) 2005-05-26 US claimed
WO-2005034848-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2005-04-21 WO claimed
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-7109243-B2 Inhibitors of cathepsin S IRM LLC (BM) 2006-09-19 US 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
WO-2004084842-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-10-07 WO disclosed
US-20040198780-A1 Inhibitors of cathepsin S IRM LLC (BM) 2004-10-07 US 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 (5 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 CTSS 1/4885EPHX1 2325/4885CTSK 9/4885
US-20040198780-A1 Inhibitors of cathepsin S CTSS, CTSK, CTSE CTSS 1/4885EPHX1 2844/4885CTSK 2/4885
US-20080108595-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ CTSS 1/4885EPHX1 2325/4885CTSK 9/4885
US-20050113356-A1 Inhibitors of cathepsin S CTSS, CTSB, CTSZ CTSS 1/4885EPHX1 2325/4885CTSK 9/4885
US-20100204200-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSE, CTSV CTSS 1/4885EPHX1 2941/4885CTSK 10/4885

“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.