SCHEMBL2820596

SCHEMBL2820596

CCN1CCC(C#N)(NC(=O)[C@H](CS(=O)(=O)Cc2ccccc2)N[C@@H](c2ccccc2)C(F)(F)F)CC1

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSL P07711 15/20 0.74
CTSS P25774 14/20 0.74
CTSB P07858 13/20 0.74
CTSK P43235 9/20 0.66

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
SCHEMBL3984834 1.00 CTSL (0.74) CTSLCTSSCTSBCTSK
SCHEMBL2821047 0.90 CTSL (0.89) CTSLCTSSCTSBCTSK
SCHEMBL2821048 0.90 CTSL (0.89) CTSLCTSSCTSBCTSK
SCHEMBL3985841 0.88 CTSS (0.64) CTSLCTSSCTSBCTSK
SCHEMBL16500218 0.85 CTSL (0.78) CTSLCTSSCTSBCTSK
SCHEMBL2819152 0.85 CTSL (0.78) CTSLCTSSCTSBCTSK
SCHEMBL2819154 0.85 CTSL (0.78) CTSLCTSSCTSBCTSK
SCHEMBL16500216 0.85 CTSL (0.78) CTSLCTSSCTSBCTSK
SCHEMBL3980475 0.85 CTSL (0.80) CTSLCTSSCTSBCTSK
SCHEMBL2816947 0.85 CTSS (0.93) CTSLCTSSCTSBCTSK

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-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
US-7737300-B2 Processes and intermediates preparing cysteine protease inhibitors VIROBAY, INC. (US) 2010-06-15 US disclosed
US-7547701-B2 Haloalkyl containing compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2009-06-16 US disclosed
US-20080114175-A1 Processes and Intermediates Preparing Cysteine Protease Inhibitors QUEST DIAGNOSTICS INVESTMENTS LLC 2008-05-15 US disclosed
US-20050182096-A1 Haloalkyl containing compounds as cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-08-18 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-20050182096-A1 Haloalkyl containing compounds as cysteine protease inhibitors CTSF, CTSS, CTSE CTSL 9/4885CTSS 2/4885CTSB 5/4885
US-20080114175-A1 Processes and Intermediates Preparing Cysteine Protease Inhibitors SPINT2, PREP, CPN1 CTSL 16/4885CTSS 35/4885CTSB 45/4885

“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.