SCHEMBL3014808

SCHEMBL3014808

O=C(NCCN1CCc2cc(F)ccc21)[C@@H](O)CC1CCCCC1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSS P25774 19/20 0.63
CTSL P07711 11/20 0.53
CTSK P43235 6/20 0.53
ALOX5 P09917 1/20 0.43
EPHX2 P34913 1/20 0.43

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
SCHEMBL3014805 1.00 CTSS (0.63) CTSSCTSLCTSKALOX5EPHX2
SCHEMBL3024690 0.90 CTSS (0.62) CTSSCTSLCTSKALOX5EPHX2
SCHEMBL5359602 0.90 CTSS (0.62) CTSSCTSLCTSKALOX5EPHX2
SCHEMBL5362588 0.85 CTSS (0.63) CTSSCTSLCTSK
SCHEMBL4800580 0.85 CTSS (0.63) CTSSCTSLCTSK
Benzene SCHEMBL4798873 0.84 CTSS (0.64) CTSSCTSLCTSK
SCHEMBL4796381 0.83 CTSS (0.61) CTSSCTSLCTSK
SCHEMBL4796386 0.83 CTSS (0.61) CTSSCTSLCTSK
SCHEMBL8291035 0.82 CTSS (0.77) CTSSCTSLCTSK
SCHEMBL5408243 0.82 CTSS (0.53) CTSSCTSLCTSKALOX5EPHX2

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 10 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
CN-100478331-C Inhibitors of cathepsin s IRM LLC (BM) 2009-04-15 CN 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
CN-1871216-A Inhibitors of cathepsin s IRM LLC (BM) 2006-11-29 CN disclosed
US-20050113356-A1 Inhibitors of cathepsin S IRM LLC (BM) 2005-05-26 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 (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 1/4885CTSL 11/4885CTSK 9/4885
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.