SCHEMBL2376013

SCHEMBL2376013

CSCC[C@H](N[C@@H](c1ccc(F)cc1)C(F)(F)F)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 9/20 0.51
CTSK P43235 8/20 0.48
CTSS P25774 6/20 0.48
CTSB P07858 5/20 0.48
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
GRN P28799 1/20 0.42
SORT1 Q99523 1/20 0.42
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
PGGT1B P53609 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
SCHEMBL13726336 1.00 CTSL (0.51) CTSLCTSKCTSSCTSBHTT
SCHEMBL12243761 0.90 CTSL (0.48) CTSLCTSKCTSSCTSBHTT
SCHEMBL2129082 0.88 CTSL (0.54) CTSLCTSKCTSSCTSBGRN
SCHEMBL13624191 0.80 CTSL (0.71) CTSLCTSKCTSSCTSBGRN
SCHEMBL1272545 0.79 CTSL (0.53) CTSLCTSKCTSSCTSBGRN
SCHEMBL1272546 0.79 CTSL (0.53) CTSLCTSKCTSSCTSBGRN
SCHEMBL1272875 0.78 NPC1 (0.46) CTSLCTSKCTSSCTSBSMN1; SMN2
SCHEMBL1272872 0.78 NPC1 (0.46) CTSLCTSKCTSSCTSBSMN1; SMN2
SCHEMBL2130840 0.78 CTSL (0.56) CTSLCTSKCTSSCTSBGRN
SCHEMBL2130836 0.78 CTSL (0.56) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2511257-B1 Composition comprising an alpha ketoamide compound as cysteine protease inhibitor VIROBAY INC (US) 2015-06-17 EP disclosed
US-8680152-B2 Cathepsin inhibitors for the treatment of bone cancer and bone cancer pain VIROBAY, INC. (US) 2014-03-25 US disclosed
US-8450373-B2 Alpha ketoamide compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2013-05-28 US disclosed
EP-1865940-B1 ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY INC (US) 2013-02-13 EP disclosed
US-20120282267-A1 CATHEPSIN INHIBITORS FOR THE TREATMENT OF BONE CANCER AND BONE CANCER PAIN VIROBAY, INC. (US) 2012-11-08 US disclosed
EP-2511257-A2 Alpha ketoamide compounds as cysteine protease inhibitors ViroBay, Inc. (US) 2012-10-17 EP disclosed
US-20120190714-A1 ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS APPLERA CORPORATION (US) 2012-07-26 US disclosed
US-8013183-B2 Alpha ketoamide compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2011-09-06 US disclosed
US-20100305331-A1 ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY, INC. (US) 2010-12-02 US disclosed
US-7696250-B2 Alpha ketoamide compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2010-04-13 US disclosed
US-20090170909-A1 ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY, INC. (US) 2009-07-02 US disclosed
US-7488848-B2 Alpha ketoamide compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2009-02-10 US disclosed
US-20070021353-A1 Alpha ketoamide compounds as cysteine protease inhibitors APPLERA CORPORATION (US) 2007-01-25 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 (5 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-20120190714-A1 ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS CTSS, CTSF, CTSB CTSL 10/4885CTSK 6/4885CTSS 1/4885
US-20090170909-A1 ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS CTSS, CTSF, CTSB CTSL 10/4885CTSK 6/4885CTSS 1/4885
US-20070021353-A1 Alpha ketoamide compounds as cysteine protease inhibitors CTSS, CTSF, CTSB CTSL 10/4885CTSK 6/4885CTSS 1/4885
US-20120282267-A1 CATHEPSIN INHIBITORS FOR THE TREATMENT OF BONE CANCER AND BONE CANCER PAIN CTSS, CTSB, CTSK CTSL 10/4885CTSK 3/4885CTSS 1/4885
US-20100305331-A1 ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS CTSS, CTSF, CTSB CTSL 10/4885CTSK 6/4885CTSS 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.