SCHEMBL3769248

SCHEMBL3769248

O=C(O)[C@H](CC(Cl)Cl)N[C@@H](c1ccc(Br)cc1)C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSL P07711 15/20 0.56
CTSK P43235 12/20 0.56
CTSS P25774 12/20 0.56
CTSB P07858 12/20 0.56
GRN P28799 1/20 0.51
SORT1 Q99523 1/20 0.51
CTSF Q9UBX1 1/20 0.41

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
SCHEMBL4786346 0.87 CTSL (0.72) CTSLCTSKCTSSCTSBGRN
SCHEMBL1169217 0.87 CTSL (0.72) CTSLCTSKCTSSCTSBGRN
SCHEMBL4085479 0.87 CTSL (0.72) CTSLCTSKCTSSCTSBGRN
SCHEMBL4085485 0.87 CTSL (0.72) CTSLCTSKCTSSCTSBGRN
SCHEMBL1169219 0.87 CTSL (0.72) CTSLCTSKCTSSCTSBGRN
SCHEMBL2156284 0.86 CTSL (0.60) CTSLCTSKCTSSCTSBGRN
SCHEMBL27663091 0.83 CTSL (0.51) CTSLCTSKCTSSCTSBGRN
SCHEMBL27663090 0.83 CTSL (0.51) CTSLCTSKCTSSCTSBGRN
SCHEMBL2156958 0.82 CTSL (0.55) CTSLCTSKCTSSCTSBGRN
SCHEMBL3767672 0.82 CTSL (0.55) CTSLCTSKCTSSCTSBGRN

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 11 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 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-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
US-20060287402-A1 Cathepsin inhibitors MERCK FROSST CANADA & CO. (CA) 2006-12-21 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 (3 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 1/4885CTSK 46/4885CTSS 5/4885
US-20130244962-A1 CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASES CTSL, SERPINB1, CTSZ CTSL 1/4885CTSK 57/4885CTSS 5/4885
US-20060287402-A1 Cathepsin inhibitors CTSB, CTSK, CTSS CTSL 8/4885CTSK 2/4885CTSS 3/4885

“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.