SCHEMBL2397629

SCHEMBL2397629

CC(CC(NC(=O)OCc1ccccc1)C(=O)O)c1ccccc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.52
CTSS P25774 3/20 0.52
CTSK P43235 10/20 0.51
CTSB P07858 3/20 0.48
ATM Q13315 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
CNR2 P34972 1/20 0.46
CAPN1 P07384 2/20 0.45
CAPN2 P17655 1/20 0.45

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
SCHEMBL2396495 0.83 CA1 (0.56) CTSLCTSSCTSKCTSBALDH1A1
SCHEMBL27944707 0.82 ATM (0.47) CTSLCTSSCTSKCTSBATM
SCHEMBL14233289 0.81 TGM2 (0.55) CTSLCTSSCTSKCTSBKDM4E
SCHEMBL7446374 0.81 TGM2 (0.55) CTSLCTSSCTSKCTSBKDM4E
SCHEMBL7446370 0.81 TGM2 (0.55) CTSLCTSSCTSKCTSBKDM4E
SCHEMBL4676541 0.81 CTSL (0.73) CTSLCTSSCTSKCTSBCAPN1
SCHEMBL2156842 0.81 CTSL (0.73) CTSLCTSSCTSKCTSBCAPN1
SCHEMBL4676547 0.81 CTSL (0.73) CTSLCTSSCTSKCTSBCAPN1
SCHEMBL2155026 0.81 CTSL (0.73) CTSLCTSSCTSKCTSBCAPN1
SCHEMBL18762607 0.81 CTSL (0.73) CTSLCTSSCTSKCTSBCAPN1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663958-B1 HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY INC (US) 2015-02-25 EP disclosed
US-8013186-B2 Haloalkyl containing compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2011-09-06 US disclosed
US-7737300-B2 Processes and intermediates preparing cysteine protease inhibitors VIROBAY, INC. (US) 2010-06-15 US disclosed
US-7662849-B2 Amidino compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2010-02-16 US disclosed
US-7547701-B2 Haloalkyl containing compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2009-06-16 US disclosed
US-20090023781-A1 Haloalkyl Containing Compounds as Cysteine Protease Inhibitors VIROBAY, INC. (US) 2009-01-22 US disclosed
US-20080114175-A1 Processes and Intermediates Preparing Cysteine Protease Inhibitors QUEST DIAGNOSTICS INVESTMENTS LLC 2008-05-15 US disclosed
US-20070276019-A1 Haloalkyl Containing Compounds as Cysteine Protease Inhibitors AXYS PHARMACEUTICALS, INC. (US) 2007-11-29 US disclosed
EP-1817275-A1 HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS Schering Aktiengesellschaft (DE) 2007-08-15 EP disclosed
EP-1799645-A2 PROCESSES AND INTERMEDIATES FOR PREPARING CYSTEINE PROTEASE INHIBITORS Bayer Schering Pharma Aktiengesellschaft (DE) 2007-06-27 EP disclosed
US-20060264464-A1 Amidino compounds as cysteine protease inhibitors QUEST DIAGNOSTICS INVESTMENTS LLC 2006-11-23 US disclosed
US-7101880-B2 Peptidic compounds as cysteine protease inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2006-09-05 US disclosed
US-20060122184-A1 Cyanomethyl derivatives as cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2006-06-08 US disclosed
WO-2006060494-A1 HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-08 WO disclosed
WO-2006034004-A2 PROCESSES AND INTERMEDIATES FOR PREPARING CYSTEINE PROTEASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2006-03-30 WO disclosed
US-20050288336-A1 Cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-12-29 US disclosed
US-20050182096-A1 Haloalkyl containing compounds as cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-08-18 US disclosed
WO-2004108661-A1 AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS (US) 2004-12-16 WO disclosed
US-20040127426-A1 Peptidic compounds as cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. 2004-07-01 US disclosed
WO-2004000838-A1 PEPTIDIC COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2003-12-31 WO 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 (8 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-20090023781-A1 Haloalkyl Containing Compounds as Cysteine Protease Inhibitors CTSF, CTSS, CTSE CTSL 9/4885CTSS 2/4885CTSK 7/4885
US-20060264464-A1 Amidino compounds as cysteine protease inhibitors CTSF, CTSB, CTSS CTSL 9/4885CTSS 3/4885CTSK 4/4885
US-20060122184-A1 Cyanomethyl derivatives as cysteine protease inhibitors CTSF, CTSB, CTSK CTSL 11/4885CTSS 4/4885CTSK 3/4885
US-20050182096-A1 Haloalkyl containing compounds as cysteine protease inhibitors CTSF, CTSS, CTSE CTSL 9/4885CTSS 2/4885CTSK 7/4885
US-20050288336-A1 Cysteine protease inhibitors CTSF, CTSS, CTSB CTSL 8/4885CTSS 2/4885CTSK 7/4885
US-20080114175-A1 Processes and Intermediates Preparing Cysteine Protease Inhibitors SPINT2, PREP, CPN1 CTSL 16/4885CTSS 35/4885CTSK 91/4885
US-20040127426-A1 Peptidic compounds as cysteine protease inhibitors CTSF, CTSB, CTSS CTSL 7/4885CTSS 3/4885CTSK 8/4885
US-20070276019-A1 Haloalkyl Containing Compounds as Cysteine Protease Inhibitors CTSF, CTSS, CTSE CTSL 9/4885CTSS 2/4885CTSK 7/4885

“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.