SCHEMBL3769285

SCHEMBL3769285

CC(C)(F)C[C@H](N[C@@H](c1ccc(-c2ccc(C3(C(=O)O)CC3)cc2)cc1)C(F)(F)F)C(=O)NC(C#N)Cc1ccccc1

nearest known ligand 0.88

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSL P07711 17/20 0.88
CTSB P07858 12/20 0.88
CTSF Q9UBX1 12/20 0.88
CTSK P43235 3/20 0.59
CTSS P25774 2/20 0.59

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
SCHEMBL3804021 1.00 CTSL (0.88) CTSLCTSBCTSFCTSKCTSS
SCHEMBL2928196 1.00 CTSL (0.88) CTSLCTSBCTSFCTSKCTSS
SCHEMBL3765256 0.95 CTSL (0.85) CTSLCTSBCTSFCTSKCTSS
SCHEMBL2954991 0.94 CTSL (1.00) CTSLCTSBCTSFCTSKCTSS
SCHEMBL12999196 0.91 CTSL (0.80) CTSLCTSBCTSFCTSKCTSS
SCHEMBL12999162 0.90 CTSL (0.79) CTSLCTSBCTSFCTSKCTSS
SCHEMBL2927306 0.90 CTSL (0.79) CTSLCTSBCTSFCTSKCTSS
SCHEMBL3148451 0.90 CTSL (0.79) CTSLCTSBCTSFCTSKCTSS
SCHEMBL3761784 0.90 CTSL (0.79) CTSLCTSBCTSFCTSKCTSS
SCHEMBL2925481 0.89 CTSL (0.78) CTSLCTSBCTSFCTSKCTSS

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-20100305056-A1 CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASE MERCK FROSST CANADA LTD. (CA) 2010-12-02 US claimed
US-8642799-B2 Cysteine protease inhibitors for the treatment of parasitic diseases MERCK CANADA INC. (CA) 2014-02-04 US disclosed
US-20130244962-A1 CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASES MERCK FROSST CANADA LTD. (CA) 2013-09-19 US disclosed
US-20100305056-A1 CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASE MERCK FROSST CANADA LTD. (CA) 2010-12-02 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-20100305056-A1 CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASE CTSL, SERPINB1, CTSZ CTSL 1/4885CTSB 24/4885CTSF 31/4885
US-20130244962-A1 CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASES CTSL, SERPINB1, CTSZ CTSL 1/4885CTSB 35/4885CTSF 42/4885

“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.