SCHEMBL1558022

SCHEMBL1558022

N#CCNC(=O)[C@H](CS(=O)(=O)Cc1ccccc1OC(F)F)NC(=O)c1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSL P07711 14/20 0.57
CTSB P07858 9/20 0.57
CTSS P25774 9/20 0.57
CTSK P43235 4/20 0.50

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
SCHEMBL6737504 0.95 CTSL (0.63) CTSLCTSBCTSSCTSK
SCHEMBL6737501 0.95 CTSL (0.63) CTSLCTSBCTSSCTSK
SCHEMBL6744795 0.94 CTSL (0.57) CTSLCTSBCTSSCTSK
SCHEMBL7682670 0.94 CTSL (0.56) CTSLCTSBCTSSCTSK
SCHEMBL6063776 0.93 CTSL (0.56) CTSLCTSBCTSSCTSK
SCHEMBL6062331 0.93 CTSL (0.56) CTSLCTSBCTSSCTSK
SCHEMBL6063726 0.92 CTSL (0.55) CTSLCTSBCTSSCTSK
SCHEMBL1557818 0.91 CTSS (0.52) CTSLCTSBCTSSCTSK
SCHEMBL6063035 0.91 CTSL (0.56) CTSLCTSBCTSSCTSK
SCHEMBL1558006 0.91 CTSL (0.56) CTSLCTSBCTSSCTSK

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040014796-A1 Novel compounds and compositions as cathepsin S inhititors AXYS PHARMACEUTICALS, INC. 2004-01-22 US claimed
US-6492362-B1 Compounds and compositions as cathepsin S inhibitors AXYS PHARMACEUTICALS, INC. 2002-12-10 US claimed
WO-2001019808-A1 CHEMICAL COMPOUNDS AND COMPOSITIONS AND THEIR USE AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-03-22 WO claimed
US-20200197334-A1 Paediatric Compositions For Treating Multiple Sclerosis NOVARTIS AG (CH) 2020-06-25 US disclosed
EP-3545953-A1 PAEDIATRIC COMPOSITIONS FOR TREATING1 MULTIPLE SCLEROSIS Novartis AG (CH) 2019-10-02 EP disclosed
US-20170333368-A1 Paediatric Compositions For Treating Multiple Sclerosis NOVARTIS AG (CH) 2017-11-23 US disclosed
US-20170128389-A1 Paediatric Compositions For Treating Multiple Sclerosis NOVARTIS AG (CH) 2017-05-11 US disclosed
US-20160206574-A1 Paediatric Compositions For Treating Multiple Sclerosis NOVARTIS AG (CH) 2016-07-21 US disclosed
EP-3011958-A1 PAEDIATRIC COMPOSITIONS FOR TREATING MULTIPLE SCLEROSIS Novartis AG (CH) 2016-04-27 EP disclosed
US-20160022611-A1 Paediatric Compositions For Treating Multiple Sclerosis KOVARIK JOHN M (CH) 2016-01-28 US disclosed
EP-2255798-B1 FTY720 for use in the treatment of optic neuritis NOVARTIS AG (CH) 2014-12-24 EP disclosed
EP-2251007-A2 Sphingosine-1-phosphate (S1P) receptor agonists for use in the treatment of demyelinating diseases Novartis AG (CH) 2010-11-17 EP disclosed
US-20090324542-A1 optic neuritis; fingolimod or 2-amino-2-{2-[4-(1-oxo-5-phenylpentyl)phenyl]ethyl}propane-1,3-diol or salts as SP1 agonist FOSTER CAROLYN ANN 2009-12-31 US disclosed
WO-2009155475-A1 PAEDIATRIC COMPOSITIONS FOR TREATING1 MULTIPLE SCLEROSIS NOVARTIS AG (CH) 2009-12-23 WO disclosed
US-20060046979-A1 Combination therapy of sphingosine-1-phosphate (S1P) receptor agonist and coagent for treating demylination disease FOSTER CAROLYN A 2006-03-02 US disclosed
EP-1575576-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2005-09-21 EP disclosed
WO-2004028521-A2 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS IN THE TREATMENT OF DEMYELINATING DISORDERS NOVARTIS AG (CH) 2004-04-08 WO disclosed
US-20040014796-A1 Novel compounds and compositions as cathepsin S inhititors AXYS PHARMACEUTICALS, INC. 2004-01-22 US disclosed
US-6492362-B1 Compounds and compositions as cathepsin S inhibitors AXYS PHARMACEUTICALS, INC. 2002-12-10 US disclosed
WO-2001019808-A1 CHEMICAL COMPOUNDS AND COMPOSITIONS AND THEIR USE AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-03-22 WO 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 (8 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-20090324542-A1 optic neuritis; fingolimod or 2-amino-2-{2-[4-(1-oxo-5-phenylpentyl)phenyl]ethyl}propane-1,3-diol or salts as SP1 agonist SP1, S1PR2, S1PR1 CTSL 1980/4885CTSB 3963/4885CTSS 4227/4885
US-20160206574-A1 Paediatric Compositions For Treating Multiple Sclerosis SMN1; SMN2, PMP22, CFTR CTSL 2725/4885CTSB 986/4885CTSS 2185/4885
US-20160022611-A1 Paediatric Compositions For Treating Multiple Sclerosis SMN1; SMN2, PMP22, CFTR CTSL 2725/4885CTSB 986/4885CTSS 2185/4885
US-20170333368-A1 Paediatric Compositions For Treating Multiple Sclerosis SMN1; SMN2, PMP22, CFTR CTSL 2855/4885CTSB 1079/4885CTSS 2266/4885
US-20060046979-A1 Combination therapy of sphingosine-1-phosphate (S1P) receptor agonist and coagent for treating demylination disease S1PR1, S1PR4, S1PR2 CTSL 1290/4885CTSB 1516/4885CTSS 1619/4885
US-20200197334-A1 Paediatric Compositions For Treating Multiple Sclerosis SMN1; SMN2, PMP22, CFTR CTSL 2725/4885CTSB 986/4885CTSS 2185/4885
US-20170128389-A1 Paediatric Compositions For Treating Multiple Sclerosis SMN1; SMN2, PMP22, CFTR CTSL 2725/4885CTSB 986/4885CTSS 2185/4885
US-20040014796-A1 Novel compounds and compositions as cathepsin S inhititors CTSS, CTSB, CTSE CTSL 10/4885CTSB 2/4885CTSS 1/4885

“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.