SCHEMBL3983249

SCHEMBL3983249

N#CC1(NC(=O)C(CSCc2ccccn2)NC(c2ccccc2)(C(F)(F)F)C(F)(F)F)CC1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.51
CTSL P07711 12/20 0.47
CTSS P25774 6/20 0.42
CTSB P07858 5/20 0.42

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
SCHEMBL3983255 1.00 CTSK (0.51) CTSKCTSLCTSSCTSB
SCHEMBL13791953 0.83 CTSL (0.51) CTSKCTSLCTSSCTSB
SCHEMBL2816725 0.83 CTSL (0.51) CTSKCTSLCTSSCTSB
SCHEMBL2819304 0.83 CTSL (0.63) CTSKCTSLCTSSCTSB
SCHEMBL2820627 0.83 CTSL (0.63) CTSKCTSLCTSSCTSB
SCHEMBL2819305 0.83 CTSL (0.63) CTSKCTSLCTSSCTSB
SCHEMBL2820629 0.83 CTSL (0.63) CTSKCTSLCTSSCTSB
SCHEMBL1271651 0.79 CTSL (0.61) CTSKCTSLCTSSCTSB
SCHEMBL1272999 0.79 CTSL (0.61) CTSKCTSLCTSSCTSB
SCHEMBL2820549 0.79 CTSL (0.61) CTSKCTSLCTSSCTSB

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 3 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-7547701-B2 Haloalkyl containing compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2009-06-16 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 (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 CTSK 7/4885CTSL 9/4885CTSS 2/4885

“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.