SCHEMBL4798517

SCHEMBL4798517

O=C(NCCN1CCc2cc(F)ccc21)[C@H](CC1CCCCC1)NS(=O)(=O)c1ccsc1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSS P25774 18/20 0.58
CTSL P07711 10/20 0.47
CTSK P43235 6/20 0.47
SMN1; SMN2 Q16637 1/20 0.41
NPY5R Q15761 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
SCHEMBL4798541 1.00 CTSS (0.58) CTSSCTSLCTSKSMN1; SMN2NPY5R
SCHEMBL4796802 0.87 CTSS (0.57) CTSSCTSLCTSKSMN1; SMN2
SCHEMBL4801486 0.87 CTSS (0.57) CTSSCTSLCTSKSMN1; SMN2
SCHEMBL4801471 0.87 CTSS (0.57) CTSSCTSLCTSKSMN1; SMN2
SCHEMBL4796787 0.87 CTSS (0.57) CTSSCTSLCTSKSMN1; SMN2
SCHEMBL4800441 0.87 CTSS (0.59) CTSSCTSLCTSK
SCHEMBL4800466 0.87 CTSS (0.59) CTSSCTSLCTSK
SCHEMBL4796097 0.86 CTSS (0.61) CTSSCTSLCTSK
SCHEMBL4799197 0.86 CTSS (0.58) CTSSCTSLCTSKSMN1; SMN2
SCHEMBL4796107 0.86 CTSS (0.61) CTSSCTSLCTSK

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.