SCHEMBL2820139

SCHEMBL2820139

O=C(O)[C@H](CSCC1CC1)NC(c1ccc(F)cc1)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSL P07711 11/20 0.46
CTSS P25774 11/20 0.46
CTSB P07858 8/20 0.46
CTSK P43235 8/20 0.46
ACE P12821 1/20 0.38

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
SCHEMBL12243756 1.00 CTSL (0.46) CTSLCTSSCTSBCTSKACE
SCHEMBL13584738 1.00 CTSL (0.46) CTSLCTSSCTSBCTSKACE
SCHEMBL2377785 1.00 CTSL (0.46) CTSLCTSSCTSBCTSKACE
SCHEMBL1273049 0.92 CTSL (0.39) CTSLCTSSCTSBCTSKACE
SCHEMBL1273048 0.92 CTSL (0.39) CTSLCTSSCTSBCTSKACE
SCHEMBL1272535 0.85 CTSL (0.35) CTSLCTSSCTSBCTSKACE
SCHEMBL1272534 0.85 CTSL (0.35) CTSLCTSSCTSBCTSKACE
SCHEMBL2401298 0.83 CTSL (0.37) CTSLCTSSCTSBCTSKACE
SCHEMBL2130840 0.81 CTSL (0.56) CTSLCTSSCTSBCTSKACE
SCHEMBL2130836 0.81 CTSL (0.56) CTSLCTSSCTSBCTSKACE

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-7488848-B2 Alpha ketoamide compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2009-02-10 US disclosed
US-20080114175-A1 Processes and Intermediates Preparing Cysteine Protease Inhibitors QUEST DIAGNOSTICS INVESTMENTS LLC 2008-05-15 US disclosed
US-20070021353-A1 Alpha ketoamide compounds as cysteine protease inhibitors APPLERA CORPORATION (US) 2007-01-25 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 (3 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-20070021353-A1 Alpha ketoamide compounds as cysteine protease inhibitors CTSS, CTSF, CTSB CTSL 10/4885CTSS 1/4885CTSB 3/4885
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.