SCHEMBL4798680

SCHEMBL4798680

C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[CH]CC(C)(C)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 18/20 0.48
CTSK P43235 11/20 0.48
CTSL P07711 11/20 0.47
POLB P06746 1/20 0.42

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
SCHEMBL4800097 0.88 CTSK (0.42) CTSSCTSKCTSL
SCHEMBL4798876 0.87 ALDH1A1 (0.39) CTSSCTSKCTSL
SCHEMBL4799004 0.81 TGM2 (0.38) CTSSCTSKCTSL
SCHEMBL4796774 0.76 CTSS (0.56) CTSSCTSKCTSLPOLB
SCHEMBL4797556 0.76 CTSS (0.56) CTSSCTSKCTSLPOLB
SCHEMBL6688710 0.75 POLB (0.43) POLB
SCHEMBL4798685 0.75 CTSS (0.62) CTSSCTSKCTSL
SCHEMBL4798239 0.73 CA2 (0.42) CTSSCTSKCTSL
SCHEMBL4800843 0.70 CTSS (0.51) CTSSCTSKCTSLPOLB
SCHEMBL12696684 0.70 EPHX2 (0.51) POLB

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