SCHEMBL4796656

SCHEMBL4796656

C[C@@H](CNc1ccc(C#N)cc1)NC(=O)[C@@H](N)CC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 16/20 0.46
CTSL P07711 13/20 0.46
CTSK P43235 11/20 0.46
CTSC P53634 1/20 0.41
EPHX1 P07099 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
METAP2 P50579 1/20 0.40
METAP1 P53582 1/20 0.40
CTSB P07858 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
SCHEMBL4796293 0.88 TSHR (0.52) CTSSCTSLCTSKCTSCEPHX1
SCHEMBL4797862 0.86 CTSS (0.48) CTSSCTSLCTSKMETAP2METAP1
SCHEMBL4798054 0.85 CTSS (0.51) CTSSCTSLCTSKMETAP2METAP1
SCHEMBL3014757 0.83 CTSS (0.56) CTSSCTSLCTSK
SCHEMBL4801081 0.83 CTSS (0.56) CTSSCTSLCTSK
SCHEMBL4795921 0.83 CTSS (0.47) CTSSCTSLCTSKMETAP2METAP1
SCHEMBL4802540 0.83 CTSS (0.49) CTSSCTSLCTSK
SCHEMBL4799983 0.83 CTSS (0.57) CTSSCTSLCTSK
SCHEMBL3020740 0.82 CTSS (0.55) CTSSCTSLCTSK
SCHEMBL4796928 0.82 CTSS (0.45) CTSSCTSLCTSKMETAP2METAP1

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 CTSS 1/4885CTSL 11/4885CTSK 9/4885
US-20080242671-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ CTSS 1/4885CTSL 11/4885CTSK 9/4885

“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.