SCHEMBL3422345

SCHEMBL3422345

Cc1ccc(S(=O)(=O)C[C@H](N[C@@H](c2ccccc2)C(F)(F)F)C(=O)NC2(C#N)CC2)cc1

nearest known ligand 0.83

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSL P07711 16/20 0.83
CTSS P25774 16/20 0.83
CTSB P07858 15/20 0.83
CTSK P43235 13/20 0.83
CTSV O60911 1/20 0.61
CTSF Q9UBX1 1/20 0.61

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
SCHEMBL3420426 0.93 CTSL (0.86) CTSLCTSSCTSBCTSKCTSV
SCHEMBL3476052 0.91 CTSL (0.83) CTSLCTSSCTSBCTSK
SCHEMBL1273076 0.88 CTSS (0.91) CTSLCTSSCTSBCTSK
SCHEMBL1273075 0.88 CTSS (0.91) CTSLCTSSCTSBCTSK
SCHEMBL3419854 0.87 CTSL (0.79) CTSLCTSSCTSBCTSK
SCHEMBL7807773 0.87 CTSS (1.00) CTSLCTSSCTSBCTSK
SCHEMBL2720048 0.86 CTSL (1.00) CTSLCTSSCTSBCTSK
SCHEMBL7805779 0.86 CTSL (1.00) CTSLCTSSCTSBCTSK
SCHEMBL14330952 0.84 CTSL (0.84) CTSLCTSSCTSBCTSK
SCHEMBL14315243 0.83 CTSL (0.86) CTSLCTSSCTSBCTSK

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 CTSL 1/4885CTSS 2/4885CTSB 5/4885

“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.