SCHEMBL2818563

SCHEMBL2818563

N#CC1(NC(=O)[C@H](CS(=O)(=O)CC2CC2)N[C@@H](c2ccc(F)cc2)C(F)(F)F)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 17/20 1.00
CTSL P07711 15/20 1.00
CTSB P07858 14/20 1.00
CTSK P43235 10/20 1.00

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
SCHEMBL5506774 1.00 CTSS (1.00) CTSSCTSLCTSBCTSK
SCHEMBL1273010 0.96 CTSS (0.93) CTSSCTSLCTSBCTSK
SCHEMBL1271557 0.96 CTSS (0.93) CTSSCTSLCTSBCTSK
SCHEMBL1273011 0.96 CTSS (0.93) CTSSCTSLCTSBCTSK
SCHEMBL1272813 0.94 CTSS (0.88) CTSSCTSLCTSBCTSK
SCHEMBL14324339 0.94 CTSS (0.88) CTSSCTSLCTSBCTSK
SCHEMBL1272500 0.94 CTSS (0.88) CTSSCTSLCTSBCTSK
SCHEMBL2395979 0.93 CTSS (0.87) CTSSCTSLCTSBCTSK
SCHEMBL2395980 0.93 CTSS (0.87) CTSSCTSLCTSBCTSK
SCHEMBL1271692 0.92 CTSS (0.85) CTSSCTSLCTSBCTSK

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 27 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 claimed
US-7547701-B2 Haloalkyl containing compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2009-06-16 US claimed
JP-2007505920-A 2007-03-15 JP claimed
EP-1663958-A2 HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2006-06-07 EP claimed
US-20050182096-A1 Haloalkyl containing compounds as cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-08-18 US claimed
WO-2005028429-A2 HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2005-03-31 WO claimed
EP-1663958-B1 HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY INC (US) 2015-02-25 EP disclosed
EP-1663958-B1 HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY INC (US) 2015-02-25 EP disclosed
WO-2012174552-A2 CATHEPSIN INHIBITORS FOR TREATING MICROGLIA-MEDIATED NEURON LOSS IN THE CENTRAL NERVOUS SYSTEM VIROBAY, INC. (US) 2012-12-20 WO disclosed
WO-2010148488-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF VARIOUS DISEASES MERCK FROSST CANADA LTD. (CA) 2010-12-29 WO disclosed
US-7737300-B2 Processes and intermediates preparing cysteine protease inhibitors VIROBAY, INC. (US) 2010-06-15 US disclosed
US-7737300-B2 Processes and intermediates preparing cysteine protease inhibitors VIROBAY, INC. (US) 2010-06-15 US disclosed
US-7737300-B2 Processes and intermediates preparing cysteine protease inhibitors VIROBAY, INC. (US) 2010-06-15 US disclosed
EP-1797032-A1 POLYMORPHS OF THE CYSTEINE PROTEASE INHIBITOR N-(1-CYANOCYCLOPROPYL)-3-CYCLOPROPYLMETHANESULFONYL-2(R)-[2,2,2-TRIFLUORO-1(S)-(4-FLUOROPHENYL)ETHYLAMINO]PROPIONAMIDE Bayer Schering Pharma Aktiengesellschaft (DE) 2007-06-20 EP disclosed
WO-2006034004-A2 PROCESSES AND INTERMEDIATES FOR PREPARING CYSTEINE PROTEASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2006-03-30 WO disclosed
WO-2006034006-A1 POLYMORPHS OF THE CYSTEINE PROTEASE INHIBITOR N- (1-CYANOCYCLOPROPYL)-3-CYCLOPROPYLMETHANSULFONYL-2 (R) - (2,2,2-TRIFLUORO-1 (S) - (4-FLUOROPHENYL) ETHYLAMINO) PROPIONAMIDE SCHERING AKTIENGESELLSCHAFT (DE) 2006-03-30 WO disclosed
WO-2006034006-A1 POLYMORPHS OF THE CYSTEINE PROTEASE INHIBITOR N- (1-CYANOCYCLOPROPYL)-3-CYCLOPROPYLMETHANSULFONYL-2 (R) - (2,2,2-TRIFLUORO-1 (S) - (4-FLUOROPHENYL) ETHYLAMINO) PROPIONAMIDE SCHERING AKTIENGESELLSCHAFT (DE) 2006-03-30 WO disclosed
WO-2006034006-A1 POLYMORPHS OF THE CYSTEINE PROTEASE INHIBITOR N- (1-CYANOCYCLOPROPYL)-3-CYCLOPROPYLMETHANSULFONYL-2 (R) - (2,2,2-TRIFLUORO-1 (S) - (4-FLUOROPHENYL) ETHYLAMINO) PROPIONAMIDE SCHERING AKTIENGESELLSCHAFT (DE) 2006-03-30 WO disclosed
US-20050182096-A1 Haloalkyl containing compounds as cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-08-18 US disclosed
WO-2005028429-A2 HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2005-03-31 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 (1 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-20050182096-A1 Haloalkyl containing compounds as cysteine protease inhibitors CTSF, CTSS, CTSE CTSS 2/4885CTSL 9/4885CTSB 5/4885

“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.