SCHEMBL3022809

SCHEMBL3022809

O=C(CC(CCC1CCCCC1)C(=O)N1C(=O)OCC1Cc1ccccc1)N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 12/20 0.47
CTSL P07711 4/20 0.46
CTSK P43235 2/20 0.42
REN P00797 6/20 0.39
TSHR P16473 1/20 0.38
RECQL P46063 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL3022811 1.00 CTSS (0.47) CTSSCTSLCTSKRENTSHR
SCHEMBL5421263 0.91 CTSS (0.53) CTSSCTSLCTSKREN
SCHEMBL5415805 0.91 CTSS (0.53) CTSSCTSLCTSKREN
SCHEMBL8289699 0.90 CTSS (0.51) CTSSCTSLCTSKREN
SCHEMBL3011570 0.87 IDH1 (0.39) RECQL
SCHEMBL3011576 0.87 IDH1 (0.39) RECQL
SCHEMBL27757167 0.87 IDH1 (0.39) RECQL
SCHEMBL7268384 0.85 FKBP1A (0.43) CTSSCTSLRENMAPK1SMN1; SMN2
SCHEMBL10774997 0.85 FKBP1A (0.43) CTSSCTSLRENMAPK1SMN1; SMN2
SCHEMBL7268378 0.85 FKBP1A (0.43) CTSSCTSLRENMAPK1SMN1; SMN2

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 14 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
US-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-01 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
EP-1383748-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-01-28 EP disclosed
WO-2002051983-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-07-04 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 (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 1/4885CTSL 11/4885CTSK 9/4885
US-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE CTSS 1/4885CTSL 11/4885CTSK 8/4885
US-20080108595-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ CTSS 1/4885CTSL 11/4885CTSK 9/4885
US-20050113356-A1 Inhibitors of cathepsin S CTSS, CTSB, CTSZ CTSS 1/4885CTSL 11/4885CTSK 9/4885
US-20100204200-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSE, CTSV CTSS 1/4885CTSL 11/4885CTSK 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.