SCHEMBL2817607

SCHEMBL2817607

CC(C)(C)OC(=O)NC(CSCc1cccc(C(F)(F)F)n1)C(=O)NC1(C#N)CC1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSL P07711 14/20 0.53
CTSS P25774 5/20 0.41
CTSK P43235 5/20 0.41
CTSB P07858 3/20 0.41
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40

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
SCHEMBL2817608 1.00 CTSL (0.53) CTSLCTSSCTSKCTSBPPARG
SCHEMBL2818398 0.85 CTSL (0.56) CTSLCTSSCTSKCTSBPPARG
SCHEMBL2818402 0.85 CTSL (0.56) CTSLCTSSCTSKCTSBPPARG
SCHEMBL2819297 0.82 CTSC (0.46) CTSLCTSSCTSKCTSB
SCHEMBL2819293 0.82 CTSC (0.46) CTSLCTSSCTSKCTSB
SCHEMBL2819481 0.82 PPARA (0.57) CTSSCTSKPPARGPPARA
SCHEMBL2819484 0.82 PPARA (0.57) CTSSCTSKPPARGPPARA
SCHEMBL2818642 0.80 CTSL (0.60) CTSLCTSSCTSKCTSB
SCHEMBL4249842 0.74 CTSL (0.72) CTSLCTSSCTSKCTSB
SCHEMBL5696734 0.73 CTSL (0.39) CTSLCTSSCTSKCTSB

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 7 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 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
EP-1663958-A2 HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2006-06-07 EP 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 (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 2/4885CTSK 7/4885
US-20080114175-A1 Processes and Intermediates Preparing Cysteine Protease Inhibitors SPINT2, PREP, CPN1 CTSL 16/4885CTSS 35/4885CTSK 91/4885

“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.