SCHEMBL1558021

SCHEMBL1558021

CN(C#N)C(=O)C(CS(=O)(=O)Cc1ccccc1OC(F)F)NC(=O)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSL P07711 11/20 0.46
CTSB P07858 8/20 0.46
CTSS P25774 7/20 0.46
CTSK P43235 3/20 0.46
CTSF Q9UBX1 1/20 0.46
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL6741608 1.00 CTSL (0.46) CTSLCTSBCTSSCTSKCTSF
SCHEMBL7658551 0.95 CTSL (0.52) CTSLCTSBCTSSCTSKCTSF
SCHEMBL6061943 0.94 CTSB (0.48) CTSLCTSBCTSSCTSKCTSF
SCHEMBL7682674 0.94 CTSB (0.46) CTSLCTSBCTSSCTSKCTSF
SCHEMBL6062326 0.93 CTSB (0.45) CTSLCTSBCTSSCTSKCTSF
SCHEMBL6062502 0.93 CTSB (0.45) CTSLCTSBCTSSCTSKCTSF
SCHEMBL6063237 0.92 CTSB (0.44) CTSLCTSBCTSSCTSKCTSF
SCHEMBL6063285 0.91 CTSB (0.42) CTSLCTSBCTSSCTSKCTSF
SCHEMBL1557816 0.91 CTSB (0.42) CTSLCTSBCTSSCTSKCTSF
SCHEMBL6063030 0.91 CTSB (0.45) CTSLCTSBCTSSCTSKCTSF

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-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
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
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
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

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 CTSL 2951/4885CTSB 1192/4885CTSS 2364/4885
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 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-20120225031-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS IN THE TREATMENT OF DEMYELINATING DISORDERS S1PR1, S1PR2, S1PR4 CTSL 2043/4885CTSB 2719/4885CTSS 3240/4885
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-20140271541-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS IN THE TREATMENT OF DEMYELINATING DISORDERS S1PR1, S1PR2, S1PR4 CTSL 2043/4885CTSB 2719/4885CTSS 3240/4885
US-20170128389-A1 Paediatric Compositions For Treating Multiple Sclerosis SMN1; SMN2, PMP22, CFTR CTSL 2725/4885CTSB 986/4885CTSS 2185/4885

“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.