SCHEMBL3020710

SCHEMBL3020710

CC(C)(C)CCC(CC(=O)N1CCOCC1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.48
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
CTSK P43235 1/20 0.39
POLB P06746 2/20 0.39
PKM P14618 1/20 0.39
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 1/20 0.38
CTSD P07339 2/20 0.37
CTSL P07711 2/20 0.37
CTSB P07858 2/20 0.37
TSHR P16473 2/20 0.37
GLA P06280 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
SCHEMBL3020713 1.00 CTSS (0.48) CTSSMEN1KMT2AUSP2SMN1; SMN2
SCHEMBL3006999 0.86 CTSS (0.46) CTSSMEN1KMT2AUSP2SMN1; SMN2
SCHEMBL3006996 0.86 CTSS (0.46) CTSSMEN1KMT2AUSP2SMN1; SMN2
SCHEMBL5954871 0.77 CTSS (0.40) CTSSMEN1KMT2AUSP2SMN1; SMN2
SCHEMBL5954877 0.77 CTSS (0.40) CTSSMEN1KMT2AUSP2SMN1; SMN2
SCHEMBL4037754 0.77 MEN1 (0.44) CTSSMEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL4044696 0.77 MEN1 (0.44) CTSSMEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL3012780 0.76 CTSS (0.50) CTSSCTSKCTSL
SCHEMBL3012782 0.76 CTSS (0.50) CTSSCTSKCTSL
SCHEMBL25725122 0.76 CTSS (0.48) CTSSMEN1KMT2AUSP2SMN1; 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 18 patents. 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
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-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 CTSS 1/4885MEN1 3815/4885KMT2A 4282/4885
US-20080108595-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ CTSS 1/4885MEN1 3815/4885KMT2A 4282/4885
US-20050113356-A1 Inhibitors of cathepsin S CTSS, CTSB, CTSZ CTSS 1/4885MEN1 3815/4885KMT2A 4282/4885
US-20100204200-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSE, CTSV CTSS 1/4885MEN1 4337/4885KMT2A 3334/4885

“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.