SCHEMBL3762640

SCHEMBL3762640

CC(C)(F)CC(N[C@@H](c1ccc(-c2ccc([C@@H](O)C(F)F)cc2)cc1)C(F)(F)F)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.65
CTSB P07858 10/20 0.64
CTSL P07711 9/20 0.64
CTSF Q9UBX1 8/20 0.64
CTSS P25774 2/20 0.47
CTSV O60911 1/20 0.46

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
SCHEMBL21690134 1.00 CTSK (0.65) CTSKCTSBCTSLCTSFCTSS
SCHEMBL21645298 1.00 CTSK (0.65) CTSKCTSBCTSLCTSFCTSS
SCHEMBL3762636 1.00 CTSK (0.65) CTSKCTSBCTSLCTSFCTSS
SCHEMBL16105826 0.89 CTSK (0.64) CTSKCTSBCTSLCTSFCTSS
SCHEMBL17585395 0.86 CTSB (0.57) CTSKCTSBCTSLCTSFCTSS
SCHEMBL2947335 0.84 CTSL (0.64) CTSKCTSBCTSLCTSFCTSS
SCHEMBL2947331 0.84 CTSL (0.64) CTSKCTSBCTSLCTSFCTSS
SCHEMBL2948347 0.84 CTSB (0.60) CTSKCTSBCTSLCTSFCTSS
SCHEMBL2948349 0.84 CTSB (0.60) CTSKCTSBCTSLCTSFCTSS
SCHEMBL14579995 0.83 CTSL (0.53) CTSKCTSBCTSLCTSFCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2225196-B1 CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASES MERCK CANADA INC (CA) 2015-01-28 EP claimed
US-20100305056-A1 CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASE MERCK FROSST CANADA LTD. (CA) 2010-12-02 US claimed
EP-2225196-B1 CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASES MERCK CANADA INC (CA) 2015-01-28 EP 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-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 CTSK 46/4885CTSB 24/4885CTSL 1/4885
US-20130244962-A1 CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASES CTSL, SERPINB1, CTSZ CTSK 57/4885CTSB 35/4885CTSL 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.