SCHEMBL5844301

SCHEMBL5844301

CCN(Nc1ccc(OC)cc1)C(=O)C(CCC1CCCCC1)NC(=O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 12/20 0.49
CTSK P43235 4/20 0.49
CTSL P07711 8/20 0.48
PTPN1 P18031 1/20 0.43
CHRM4 P08173 2/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41

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
SCHEMBL5842668 0.93 CTSS (0.55) CTSSCTSKCTSLPTPN1GAA
SCHEMBL5842773 0.87 CTSS (0.47) CTSSCTSKCTSLALDH1A1
SCHEMBL5843012 0.85 CTSS (0.48) CTSSCTSKCTSL
SCHEMBL5842546 0.84 CTSL (0.67) CTSSCTSKCTSL
SCHEMBL5842674 0.83 CTSS (0.48) CTSSCTSKCTSLPTPN1
SCHEMBL5842009 0.83 CTSS (0.57) CTSSCTSKCTSLALDH1A1
SCHEMBL5843392 0.83 CTSS (0.60) CTSSCTSKCTSLRAB9AALDH1A1
SCHEMBL5844635 0.83 CTSS (0.54) CTSSCTSKCTSL
SCHEMBL5843947 0.82 CTSS (0.66) CTSSCTSKCTSLALDH1A1
SCHEMBL5844379 0.82 CTSS (0.57) CTSSCTSKCTSL

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109243-B2 Inhibitors of cathepsin S IRM LLC (BM) 2006-09-19 US claimed
US-7109243-B2 Inhibitors of cathepsin S IRM LLC (BM) 2006-09-19 US 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 (1 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-20040198780-A1 Inhibitors of cathepsin S CTSS, CTSK, CTSE CTSS 1/4885CTSK 2/4885CTSL 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.