SCHEMBL5841955

SCHEMBL5841955

CCN(Nc1ccc(OC)cc1)C(=O)C(CCC1CCCCC1)NC(=O)c1ccc(-n2cncn2)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 10/20 0.62
CTSL P07711 7/20 0.62
CTSK P43235 5/20 0.62
MAPK14 Q16539 6/20 0.42
MAPK11 Q15759 5/20 0.42
ALDH1A1 P00352 1/20 0.39
ABL1 P00519 1/20 0.38
FGFR3 P22607 1/20 0.38
DDR1 Q08345 1/20 0.38
DDR2 Q16832 1/20 0.38
MAP3K20 Q9NYL2 1/20 0.38
MAP3K4 Q9Y6R4 1/20 0.38
KDM1A O60341 1/20 0.38
RAB9A P51151 1/20 0.37

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
SCHEMBL5842764 0.92 CTSS (0.71) CTSSCTSLCTSKALDH1A1
SCHEMBL5842433 0.86 CTSS (0.62) CTSSCTSLCTSK
SCHEMBL5843392 0.85 CTSS (0.60) CTSSCTSLCTSKMAPK14ALDH1A1
SCHEMBL5841950 0.83 CTSS (0.86) CTSSCTSLCTSK
SCHEMBL5841944 0.83 CTSS (0.86) CTSSCTSLCTSK
SCHEMBL5842773 0.83 CTSS (0.47) CTSSCTSLCTSKALDH1A1
SCHEMBL5844301 0.81 CTSS (0.49) CTSSCTSLCTSKMAPK14MAPK11
SCHEMBL5842546 0.80 CTSL (0.67) CTSSCTSLCTSK
SCHEMBL5842009 0.80 CTSS (0.57) CTSSCTSLCTSKALDH1A1
SCHEMBL5843533 0.79 CTSS (0.56) 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 10/4885CTSK 2/4885

“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.