SCHEMBL4796963

SCHEMBL4796963

C[C@@H](CNc1cccc(F)c1F)NC(=O)[C@@H](N)CC1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 14/20 0.40
CTSL P07711 13/20 0.40
CTSK P43235 10/20 0.40
METAP2 P50579 3/20 0.39
METAP1 P53582 3/20 0.39
CTSC P53634 1/20 0.37
REN P00797 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL4796447 0.91 KMT2A (0.43) CTSSCTSLCTSKMETAP2METAP1
SCHEMBL4800287 0.90 CTSL (0.44) CTSSCTSLCTSKMETAP2METAP1
SCHEMBL4801927 0.88 CTSS (0.41) CTSSCTSLCTSKMETAP2METAP1
SCHEMBL4796328 0.83 CTSL (0.40) CTSSCTSLCTSKMETAP2METAP1
SCHEMBL4799916 0.83 TAS1R3 (0.49) CTSSCTSLCTSKMETAP2METAP1
SCHEMBL4798327 0.82 METAP2 (0.42) CTSSCTSLCTSKMETAP2METAP1
SCHEMBL4799977 0.82 TP53 (0.46) CTSSCTSLCTSKMETAP2METAP1
SCHEMBL4797750 0.81 CTSS (0.45) CTSSCTSLCTSKMETAP2METAP1
SCHEMBL4798054 0.80 CTSS (0.51) CTSSCTSLCTSKMETAP2METAP1
SCHEMBL4797529 0.80 CTSL (0.42) 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 5 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
WO-2004084843-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-10-07 WO 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.