SCHEMBL1272500

SCHEMBL1272500

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

nearest known ligand 0.88

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 17/20 0.88
CTSL P07711 15/20 0.88
CTSB P07858 14/20 0.88
CTSK P43235 10/20 0.88

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
SCHEMBL14324339 1.00 CTSS (0.88) CTSSCTSLCTSBCTSK
SCHEMBL2818563 0.94 CTSS (1.00) CTSSCTSLCTSBCTSK
SCHEMBL5506774 0.94 CTSS (1.00) CTSSCTSLCTSBCTSK
SCHEMBL2395980 0.90 CTSS (0.87) CTSSCTSLCTSBCTSK
SCHEMBL2395979 0.90 CTSS (0.87) CTSSCTSLCTSBCTSK
SCHEMBL1271557 0.90 CTSS (0.93) CTSSCTSLCTSBCTSK
SCHEMBL1273011 0.90 CTSS (0.93) CTSSCTSLCTSBCTSK
SCHEMBL1273010 0.90 CTSS (0.93) CTSSCTSLCTSBCTSK
SCHEMBL2398885 0.89 CTSS (0.84) CTSSCTSLCTSBCTSK
SCHEMBL2398888 0.89 CTSS (0.84) 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 18 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 claimed
US-20110281879-A1 SULFONYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY, INC. (US) 2011-11-17 US claimed
US-7893093-B2 Sulfonyl containing compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2011-02-22 US claimed
US-20080287446-A1 Sulfonyl Containing Compounds as Cysteine Protease Inhibitors QUEST DIAGNOSTICS INVESTMENTS LLC 2008-11-20 US claimed
EP-1866277-A2 SULFONYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS CELERA GENOMICS (US) 2007-12-19 EP claimed
WO-2006102535-A2 SULFONYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS CELERA GENOMICS (US) 2006-09-28 WO claimed
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-20120329837-A1 CATHEPSIN INHIBITORS FOR TREATING MICROGLIA-MEDIATED NEURON LOSS IN THE CENTRAL NERVOUS SYSTEM VIROBAY, INC. (US) 2012-12-27 US disclosed
WO-2012174552-A2 CATHEPSIN INHIBITORS FOR TREATING MICROGLIA-MEDIATED NEURON LOSS IN THE CENTRAL NERVOUS SYSTEM VIROBAY, INC. (US) 2012-12-20 WO disclosed
US-20110281879-A1 SULFONYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY, INC. (US) 2011-11-17 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-7893093-B2 Sulfonyl containing compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2011-02-22 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
US-20080287446-A1 Sulfonyl Containing Compounds as Cysteine Protease Inhibitors QUEST DIAGNOSTICS INVESTMENTS LLC 2008-11-20 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.