SCHEMBL1333119

SCHEMBL1333119

N#CC1(NC(=O)[C@H](CSCc2ccccn2)N[C@@H](c2ccc(F)cc2)C(F)(F)C(F)(F)F)CC1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSL P07711 13/20 0.54
CTSS P25774 12/20 0.53
CTSB P07858 9/20 0.52
CTSK P43235 8/20 0.52

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
SCHEMBL2820549 0.94 CTSL (0.61) CTSLCTSSCTSBCTSK
SCHEMBL1271651 0.94 CTSL (0.61) CTSLCTSSCTSBCTSK
SCHEMBL1272999 0.94 CTSL (0.61) CTSLCTSSCTSBCTSK
SCHEMBL1273001 0.94 CTSL (0.61) CTSLCTSSCTSBCTSK
SCHEMBL2820627 0.88 CTSL (0.63) CTSLCTSSCTSBCTSK
SCHEMBL2820629 0.88 CTSL (0.63) CTSLCTSSCTSBCTSK
SCHEMBL2819304 0.88 CTSL (0.63) CTSLCTSSCTSBCTSK
SCHEMBL2819305 0.88 CTSL (0.63) CTSLCTSSCTSBCTSK
SCHEMBL1273046 0.85 CTSS (0.68) CTSLCTSSCTSBCTSK
SCHEMBL1273045 0.85 CTSS (0.68) CTSLCTSSCTSBCTSK

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
EP-1866277-B1 SULFONYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY INC (US) 2014-06-25 EP disclosed
US-20110281879-A1 SULFONYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY, INC. (US) 2011-11-17 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-20110281879-A1 SULFONYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS CTSS, CTSF, CTSB CTSL 10/4885CTSS 1/4885CTSB 3/4885

“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.