SCHEMBL3985841

SCHEMBL3985841

CCN1CCC(C#N)(NC(=O)C(CS(=O)(=O)Cc2ccccc2C2CC2)N[C@H](c2ccccc2)C(F)(F)F)CC1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 16/20 0.64
CTSL P07711 16/20 0.64
CTSB P07858 15/20 0.64
CTSK P43235 11/20 0.61

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 0.88 CTSL (0.74) CTSSCTSLCTSBCTSK
SCHEMBL2820596 0.88 CTSL (0.74) CTSSCTSLCTSBCTSK
SCHEMBL2821048 0.78 CTSL (0.89) CTSSCTSLCTSBCTSK
SCHEMBL2821047 0.78 CTSL (0.89) CTSSCTSLCTSBCTSK
SCHEMBL7801025 0.78 CTSS (1.00) CTSSCTSLCTSBCTSK
SCHEMBL7804134 0.77 CTSS (0.77) CTSSCTSLCTSBCTSK
SCHEMBL2817685 0.77 CTSL (1.00) CTSSCTSLCTSBCTSK
SCHEMBL2817682 0.77 CTSL (1.00) CTSSCTSLCTSBCTSK
SCHEMBL14330952 0.76 CTSL (0.84) CTSSCTSLCTSBCTSK
SCHEMBL7805779 0.75 CTSL (1.00) 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 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 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.