SCHEMBL1558039

SCHEMBL1558039

N#C[C@@H](COCc1ccccc1)NC(=O)C(CC1CCCCC1)NC(=O)N1CCOCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 1.00
CTSL P07711 5/20 1.00
CTSB P07858 4/20 1.00

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
SCHEMBL1558042 1.00 CTSS (1.00) CTSSCTSLCTSB
SCHEMBL3898186 0.87 CTSS (0.78) CTSSCTSLCTSB
SCHEMBL5758384 0.86 CTSS (1.00) CTSSCTSLCTSB
SCHEMBL12196300 0.84 CTSS (0.72) CTSSCTSLCTSB
SCHEMBL2163184 0.84 CTSS (0.72) CTSSCTSLCTSB
SCHEMBL7543883 0.83 CTSS (1.00) CTSSCTSLCTSB
SCHEMBL2230527 0.83 CTSS (0.81) CTSSCTSLCTSB
SCHEMBL7394751 0.83 CTSS (0.82) CTSSCTSLCTSB
SCHEMBL3903521 0.83 CTSS (0.71) CTSSCTSLCTSB
SCHEMBL2230622 0.83 CTSS (0.75) CTSSCTSLCTSB

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20190117593-A1 Paediatric Compositions for Treating Multiple Sclerosis NOVARTIS AG (CH) 2019-04-25 US 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
EP-2255798-B1 FTY720 for use in the treatment of optic neuritis NOVARTIS AG (CH) 2014-12-24 EP disclosed
US-20140271541-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS IN THE TREATMENT OF DEMYELINATING DISORDERS NOVARTIS AG (CH) 2014-09-18 US disclosed
US-20130230489-A1 Paediatric Compositions For Treating Multiple Sclerosis KOVARIK JOHN M (CH) 2013-09-05 US disclosed
US-20120225031-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS IN THE TREATMENT OF DEMYELINATING DISORDERS FOSTER CAROLYN ANN (AT) 2012-09-06 US disclosed
US-20110152380-A1 Paediatric Compositions For Treating Multiple Sclerosis NOVARTIS AG (CH) 2011-06-23 US disclosed
EP-2303250-A1 PAEDIATRIC COMPOSITIONS FOR TREATING1 MULTIPLE SCLEROSIS Novartis AG (CH) 2011-04-06 EP disclosed
EP-2255798-A2 Sphingosine-1-phosphate receptor agonists for use in the treatment of optic neuritis Novartis AG (CH) 2010-12-01 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 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-20130230489-A1 Paediatric Compositions For Treating Multiple Sclerosis SMN1; SMN2, PMP22, MYT1 CTSS 2364/4885CTSL 2951/4885CTSB 1192/4885
US-20190117593-A1 Paediatric Compositions for Treating Multiple Sclerosis SMN1; SMN2, PMP22, CFTR CTSS 2385/4885CTSL 2929/4885CTSB 1116/4885
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 CTSS 4227/4885CTSL 1980/4885CTSB 3963/4885
US-20160206574-A1 Paediatric Compositions For Treating Multiple Sclerosis SMN1; SMN2, PMP22, CFTR CTSS 2185/4885CTSL 2725/4885CTSB 986/4885
US-20120225031-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS IN THE TREATMENT OF DEMYELINATING DISORDERS S1PR1, S1PR2, S1PR4 CTSS 3240/4885CTSL 2043/4885CTSB 2719/4885
US-20110152380-A1 Paediatric Compositions For Treating Multiple Sclerosis SMN1; SMN2, PMP22, CFTR CTSS 2385/4885CTSL 2929/4885CTSB 1116/4885
US-20170333368-A1 Paediatric Compositions For Treating Multiple Sclerosis SMN1; SMN2, PMP22, CFTR CTSS 2266/4885CTSL 2855/4885CTSB 1079/4885
US-20200197334-A1 Paediatric Compositions For Treating Multiple Sclerosis SMN1; SMN2, PMP22, CFTR CTSS 2185/4885CTSL 2725/4885CTSB 986/4885
US-20140271541-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS IN THE TREATMENT OF DEMYELINATING DISORDERS S1PR1, S1PR2, S1PR4 CTSS 3240/4885CTSL 2043/4885CTSB 2719/4885
US-20170128389-A1 Paediatric Compositions For Treating Multiple Sclerosis SMN1; SMN2, PMP22, CFTR CTSS 2185/4885CTSL 2725/4885CTSB 986/4885

“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.