SCHEMBL3418939

SCHEMBL3418939

Cc1cccc(CS(=O)(=O)C[C@H](N[C@@H](c2ccc(Br)cc2)C(F)(F)F)C(=O)NC2(C#N)CC2)c1F

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 19/20 0.74
CTSB P07858 17/20 0.74
CTSL P07711 16/20 0.74
CTSK P43235 13/20 0.69

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
SCHEMBL3420805 0.92 CTSS (0.88) CTSSCTSBCTSLCTSK
SCHEMBL3418926 0.86 CTSL (0.69) CTSSCTSBCTSLCTSK
SCHEMBL7801025 0.84 CTSS (1.00) CTSSCTSBCTSLCTSK
SCHEMBL3478436 0.83 CTSS (0.84) CTSSCTSBCTSLCTSK
SCHEMBL3476615 0.82 CTSS (1.00) CTSSCTSBCTSLCTSK
SCHEMBL1273060 0.81 CTSS (0.78) CTSSCTSBCTSLCTSK
SCHEMBL1273059 0.81 CTSS (0.78) CTSSCTSBCTSLCTSK
SCHEMBL1272508 0.80 CTSS (0.80) CTSSCTSBCTSLCTSK
SCHEMBL1271541 0.80 CTSS (0.80) CTSSCTSBCTSLCTSK
SCHEMBL7806217 0.80 CTSS (0.82) CTSSCTSBCTSLCTSK

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101053-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF VARIOUS DISEASES MERCK CANADA INC. (CA) 2012-04-26 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 (1 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-20120101053-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF VARIOUS DISEASES CTSL, CTSS, CTSZ CTSS 2/4885CTSB 5/4885CTSL 1/4885

“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.