SCHEMBL2720048

SCHEMBL2720048

N#CC1(NC(=O)[C@H](CS(=O)(=O)c2ccc(Cl)c(Cl)c2)N[C@@H](c2ccccc2)C(F)(F)F)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSL P07711 15/20 1.00
CTSB P07858 14/20 1.00
CTSS P25774 14/20 1.00
CTSK P43235 12/20 1.00

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
SCHEMBL7804136 0.92 CTSS (1.00) CTSLCTSBCTSSCTSK
SCHEMBL3417590 0.91 CTSL (0.84) CTSLCTSBCTSSCTSK
SCHEMBL3419854 0.89 CTSL (0.79) CTSLCTSBCTSSCTSK
SCHEMBL3420426 0.88 CTSL (0.86) CTSLCTSBCTSSCTSK
SCHEMBL7797585 0.87 CTSL (0.77) CTSLCTSBCTSSCTSK
SCHEMBL3476052 0.86 CTSL (0.83) CTSLCTSBCTSSCTSK
SCHEMBL3422345 0.86 CTSL (0.83) CTSLCTSBCTSSCTSK
SCHEMBL3419285 0.85 CTSS (0.86) CTSLCTSBCTSSCTSK
SCHEMBL1273075 0.84 CTSS (0.91) CTSLCTSBCTSSCTSK
SCHEMBL1273076 0.84 CTSS (0.91) CTSLCTSBCTSSCTSK

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
EP-2445872-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF VARIOUS DISEASES Merck Canada Inc. (CA) 2012-05-02 EP disclosed
US-20120101053-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF VARIOUS DISEASES MERCK CANADA INC. (CA) 2012-04-26 US disclosed
US-20120101053-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF VARIOUS DISEASES MERCK CANADA INC. (CA) 2012-04-26 US disclosed
WO-2010148488-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF VARIOUS DISEASES MERCK FROSST CANADA LTD. (CA) 2010-12-29 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 (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 1/4885CTSB 5/4885CTSS 2/4885

“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.