SCHEMBL5842972

SCHEMBL5842972

CCN(Nc1ccc(OC(F)(F)F)cc1)C(=O)C(CC1CCCCC1)NC(=O)c1cccc(CN2CCOCC2)c1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.58
KCNH2 Q12809 1/20 0.58
CTSS P25774 19/20 0.48
CTSL P07711 17/20 0.48
CTSK P43235 17/20 0.48

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
SCHEMBL5842968 0.84 CTSS (0.68) ABL1KCNH2CTSSCTSLCTSK
SCHEMBL5842964 0.84 CTSS (0.68) ABL1KCNH2CTSSCTSLCTSK
SCHEMBL5843012 0.80 CTSS (0.48) CTSSCTSLCTSK
SCHEMBL5843533 0.79 CTSS (0.56) CTSSCTSLCTSK
SCHEMBL5844528 0.78 CTSS (0.53) CTSSCTSLCTSK
SCHEMBL5844353 0.77 CTSS (0.55) CTSSCTSLCTSK
SCHEMBL5842433 0.76 CTSS (0.62) CTSSCTSLCTSK
SCHEMBL5842534 0.75 CTSS (0.57) CTSSCTSLCTSK
SCHEMBL5844153 0.74 CTSS (0.54) CTSSCTSLCTSK
SCHEMBL5844379 0.74 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 ABL1 1823/4885KCNH2 3243/4885CTSS 1/4885

“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.