SCHEMBL5841737

SCHEMBL5841737

CCN(Nc1ccc(OC)cc1)C(=O)C(CC1CCCCC1)NC(=O)c1cc(C)c(OC)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 15/20 0.50
CTSL P07711 11/20 0.50
CTSK P43235 8/20 0.50
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
GRN P28799 1/20 0.40
SORT1 Q99523 1/20 0.40
ALDH1A1 P00352 1/20 0.40
EPHX2 P34913 1/20 0.40

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
SCHEMBL5842678 0.91 CTSS (0.51) CTSSCTSLCTSKGRNSORT1
SCHEMBL5842009 0.90 CTSS (0.57) CTSSCTSLCTSKTAS1R3TAS1R1
SCHEMBL5842674 0.90 CTSS (0.48) CTSSCTSLCTSK
SCHEMBL5842642 0.89 CTSS (0.49) CTSSCTSLCTSKGRNSORT1
SCHEMBL5842862 0.89 CTSS (0.52) CTSSCTSLCTSKALDH1A1
SCHEMBL5842643 0.89 GRN (0.55) CTSSCTSLCTSKGRNSORT1
SCHEMBL5842537 0.87 CTSS (0.50) CTSSCTSLCTSKALDH1A1
SCHEMBL5841162 0.85 CTSS (0.53) CTSSCTSLCTSKALDH1A1
SCHEMBL5842534 0.84 CTSS (0.57) CTSSCTSLCTSKGRNSORT1
SCHEMBL5842602 0.84 CTSS (0.51) CTSSCTSLCTSKTAS1R3TAS1R1

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 3 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
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.