SCHEMBL3023325

SCHEMBL3023325

Cc1cc(NC[C@H](C)NC(=O)[C@@H](N)CC2CCCCC2)no1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
KLK7 P49862 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.44
AAK1 Q2M2I8 1/20 0.39
CTSL P07711 6/20 0.39
CTSS P25774 6/20 0.39
CTSK P43235 4/20 0.39
GAA P10253 1/20 0.38
S1PR3 Q99500 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
SCHEMBL4796551 0.86 F2RL1 (0.42) ALDH1A1SMN1; SMN2AAK1CTSLCTSS
SCHEMBL8290917 0.80 CTSS (0.62) CTSLCTSSCTSK
SCHEMBL4798028 0.79 CTSL (0.38) SMN1; SMN2AAK1CTSLCTSSCTSK
SCHEMBL3840211 0.78 CTSS (0.50) KLK7CTSLCTSSCTSK
SCHEMBL4799148 0.77 CTSS (0.44) AAK1CTSLCTSSCTSK
SCHEMBL4798550 0.76 AAK1 (0.42) AAK1CTSLCTSSCTSK
SCHEMBL4800048 0.76 CTSD (0.42) ALDH1A1AAK1CTSLCTSSCTSK
SCHEMBL4797862 0.76 CTSS (0.48) AAK1CTSLCTSSCTSK
SCHEMBL4798054 0.75 CTSS (0.51) KLK7CTSLCTSSCTSK
SCHEMBL4798738 0.74 CTSD (0.46) ALDH1A1SMN1; SMN2CTSLCTSSCTSK

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 23 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-20080242671-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2008-10-02 US 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-20080242671-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2008-10-02 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
US-20040248887-A1 Inhibitors of cathepsin S IRM LLC (BM) 2004-12-09 US disclosed
WO-2004084843-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-10-07 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 ALDH1A1 3512/4885KLK7 398/4885SMN1; SMN2 2505/4885
US-20040248887-A1 Inhibitors of cathepsin S CTSS, CTSB, CTSZ ALDH1A1 3512/4885KLK7 398/4885SMN1; SMN2 2505/4885
US-20080242671-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ ALDH1A1 3512/4885KLK7 398/4885SMN1; SMN2 2505/4885
US-20050113356-A1 Inhibitors of cathepsin S CTSS, CTSB, CTSZ ALDH1A1 3512/4885KLK7 398/4885SMN1; SMN2 2505/4885
US-20100204200-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSE, CTSV ALDH1A1 2502/4885KLK7 2019/4885SMN1; SMN2 3545/4885

“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.