SCHEMBL4798550

SCHEMBL4798550

COc1c(C)cc(NC[C@H](C)NC(=O)[C@@H](N)CC2CCCCC2)cc1C

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.42
CTSS P25774 12/20 0.41
CTSL P07711 11/20 0.41
CTSK P43235 8/20 0.41
METAP2 P50579 5/20 0.41
CTSD P07339 1/20 0.38
METAP1 P53582 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
SCHEMBL4800048 0.83 CTSD (0.42) AAK1CTSSCTSLCTSKMETAP2
SCHEMBL4801081 0.83 CTSS (0.56) CTSSCTSLCTSK
SCHEMBL3014757 0.83 CTSS (0.56) CTSSCTSLCTSK
SCHEMBL4799148 0.82 CTSS (0.44) AAK1CTSSCTSLCTSKMETAP2
SCHEMBL3020740 0.81 CTSS (0.55) CTSSCTSLCTSK
SCHEMBL4797862 0.79 CTSS (0.48) AAK1CTSSCTSLCTSKMETAP2
SCHEMBL4798054 0.78 CTSS (0.51) CTSSCTSLCTSKMETAP2METAP1
SCHEMBL4801319 0.77 EPHX2 (0.49) CTSSCTSLCTSKMETAP2METAP1
SCHEMBL4797750 0.77 CTSS (0.45) CTSSCTSLCTSKMETAP2METAP1
SCHEMBL3023325 0.76 ALDH1A1 (0.49) AAK1CTSSCTSLCTSK

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-20080242671-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2008-10-02 US claimed
US-20080242671-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2008-10-02 US disclosed
US-7384970-B2 Inhibitors of cathepsin S IRM LLC (BM) 2008-06-10 US disclosed
US-20040248887-A1 Inhibitors of cathepsin S IRM LLC (BM) 2004-12-09 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 (2 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-20040248887-A1 Inhibitors of cathepsin S CTSS, CTSB, CTSZ AAK1 2822/4885CTSS 1/4885CTSL 11/4885
US-20080242671-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ AAK1 2822/4885CTSS 1/4885CTSL 11/4885

“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.