SCHEMBL3759357

SCHEMBL3759357

CC(C)(F)C[C@H](N[C@@H](c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(F)(F)F)C(=O)NC(C#N)Cc1ccc(C#N)cc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSB P07858 18/20 1.00
CTSF Q9UBX1 18/20 1.00
CTSL P07711 18/20 1.00
CTSS P25774 6/20 0.78
CTSK P43235 6/20 0.78
CTSV O60911 4/20 0.78

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
SCHEMBL3765380 1.00 CTSB (1.00) CTSBCTSFCTSLCTSSCTSK
SCHEMBL2953108 1.00 CTSB (1.00) CTSBCTSFCTSLCTSSCTSK
SCHEMBL12999170 0.92 CTSL (0.85) CTSBCTSFCTSLCTSSCTSK
SCHEMBL3760063 0.92 CTSL (0.84) CTSBCTSFCTSLCTSSCTSK
SCHEMBL12999207 0.91 CTSL (0.84) CTSBCTSFCTSLCTSSCTSK
SCHEMBL2951583 0.91 CTSL (0.84) CTSBCTSFCTSLCTSSCTSK
SCHEMBL2926037 0.91 CTSL (0.83) CTSBCTSFCTSLCTSSCTSK
SCHEMBL2926034 0.91 CTSL (0.83) CTSBCTSFCTSLCTSSCTSK
SCHEMBL2926040 0.91 CTSL (0.83) CTSBCTSFCTSLCTSSCTSK
SCHEMBL12999188 0.91 CTSL (0.83) CTSBCTSFCTSLCTSSCTSK

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 10 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-8642799-B2 Cysteine protease inhibitors for the treatment of parasitic diseases MERCK CANADA INC. (CA) 2014-02-04 US disclosed
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-20130244962-A1 CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASES MERCK FROSST CANADA LTD. (CA) 2013-09-19 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
US-20100305056-A1 CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASE MERCK FROSST CANADA LTD. (CA) 2010-12-02 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 CTSB 24/4885CTSF 31/4885CTSL 1/4885
US-20130244962-A1 CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASES CTSL, SERPINB1, CTSZ CTSB 35/4885CTSF 42/4885CTSL 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.