SCHEMBL1273044

SCHEMBL1273044

N#CC1(NC(=O)[C@H](CSCC2CC2)N[C@@H](c2ccc(F)cc2)C(F)(F)C(F)(F)F)CC1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 15/20 0.62
CTSL P07711 14/20 0.62
CTSB P07858 12/20 0.62
CTSK P43235 9/20 0.62

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
SCHEMBL2822302 0.94 CTSS (0.70) CTSSCTSLCTSBCTSK
SCHEMBL2401471 0.83 CTSL (0.53) CTSSCTSLCTSBCTSK
SCHEMBL2401476 0.83 CTSL (0.53) CTSSCTSLCTSBCTSK
SCHEMBL1272500 0.83 CTSS (0.88) CTSSCTSLCTSBCTSK
SCHEMBL14324339 0.83 CTSS (0.88) CTSSCTSLCTSBCTSK
SCHEMBL15827682 0.83 CTSL (0.70) CTSSCTSLCTSBCTSK
SCHEMBL1273049 0.82 CTSL (0.39) CTSSCTSLCTSBCTSK
SCHEMBL1273048 0.82 CTSL (0.39) CTSSCTSLCTSBCTSK
SCHEMBL1333119 0.81 CTSL (0.54) CTSSCTSLCTSBCTSK
SCHEMBL2132609 0.81 CTSL (0.78) 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 5 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-20120329837-A1 CATHEPSIN INHIBITORS FOR TREATING MICROGLIA-MEDIATED NEURON LOSS IN THE CENTRAL NERVOUS SYSTEM VIROBAY, INC. (US) 2012-12-27 US disclosed
US-20110281879-A1 SULFONYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY, INC. (US) 2011-11-17 US disclosed
US-7893093-B2 Sulfonyl containing compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2011-02-22 US disclosed
US-20080287446-A1 Sulfonyl Containing Compounds as Cysteine Protease Inhibitors QUEST DIAGNOSTICS INVESTMENTS LLC 2008-11-20 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-20110281879-A1 SULFONYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS CTSS, CTSF, CTSB CTSS 1/4885CTSL 10/4885CTSB 3/4885
US-20080287446-A1 Sulfonyl Containing Compounds as Cysteine Protease Inhibitors CTSS, CTSF, CTSB CTSS 1/4885CTSL 10/4885CTSB 3/4885
US-20120329837-A1 CATHEPSIN INHIBITORS FOR TREATING MICROGLIA-MEDIATED NEURON LOSS IN THE CENTRAL NERVOUS SYSTEM CTSS, CTSB, CTSG CTSS 1/4885CTSL 12/4885CTSB 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.