SCHEMBL5842773

SCHEMBL5842773

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

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 12/20 0.47
CTSL P07711 9/20 0.47
ALDH1A1 P00352 1/20 0.42
CTSK P43235 5/20 0.41
EHMT2 Q96KQ7 4/20 0.39
CACNA1B Q00975 1/20 0.39
EHMT1 Q9H9B1 2/20 0.38
EPHX2 P34913 1/20 0.38
DNMT1 P26358 1/20 0.38
KLK7 P49862 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
SCHEMBL5843866 0.92 CTSS (0.51) CTSSCTSLALDH1A1CTSKEPHX2
SCHEMBL5844635 0.90 CTSS (0.54) CTSSCTSLCTSK
SCHEMBL5844301 0.87 CTSS (0.49) CTSSCTSLALDH1A1CTSK
SCHEMBL5842546 0.84 CTSL (0.67) CTSSCTSLCTSK
SCHEMBL5842009 0.84 CTSS (0.57) CTSSCTSLALDH1A1CTSKEPHX2
SCHEMBL5843392 0.84 CTSS (0.60) CTSSCTSLALDH1A1CTSK
SCHEMBL5841955 0.83 CTSS (0.62) CTSSCTSLALDH1A1CTSK
SCHEMBL5843533 0.82 CTSS (0.56) CTSSCTSLCTSK
SCHEMBL5844136 0.82 CTSS (0.53) CTSSCTSLCTSK
SCHEMBL5844379 0.81 CTSS (0.57) CTSSCTSLCTSK

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 1/4885CTSL 10/4885ALDH1A1 4380/4885

“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.