SCHEMBL2398885

SCHEMBL2398885

N#CC1(NC(=O)C(CS(=O)(=O)CC2CC2)N[C@H](c2ccc(F)cc2)C(F)(F)S(=O)(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.84

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 17/20 0.84
CTSL P07711 14/20 0.84
CTSB P07858 13/20 0.84
CTSK P43235 10/20 0.84

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
SCHEMBL2398888 1.00 CTSS (0.84) CTSSCTSLCTSBCTSK
SCHEMBL2818563 0.91 CTSS (1.00) CTSSCTSLCTSBCTSK
SCHEMBL5506774 0.91 CTSS (1.00) CTSSCTSLCTSBCTSK
SCHEMBL1272500 0.89 CTSS (0.88) CTSSCTSLCTSBCTSK
SCHEMBL14324339 0.89 CTSS (0.88) CTSSCTSLCTSBCTSK
SCHEMBL2395980 0.88 CTSS (0.87) CTSSCTSLCTSBCTSK
SCHEMBL2395979 0.88 CTSS (0.87) CTSSCTSLCTSBCTSK
SCHEMBL1273011 0.88 CTSS (0.93) CTSSCTSLCTSBCTSK
SCHEMBL1273010 0.88 CTSS (0.93) CTSSCTSLCTSBCTSK
SCHEMBL1271557 0.88 CTSS (0.93) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8013186-B2 Haloalkyl containing compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2011-09-06 US disclosed
US-20090023781-A1 Haloalkyl Containing Compounds as Cysteine Protease Inhibitors VIROBAY, INC. (US) 2009-01-22 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-20090023781-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.