SCHEMBL1990970

SCHEMBL1990970

Cc1ccc(C(=O)NC(CS(=O)(=O)Cc2ccccc2OC(F)F)C(=O)N(C)C#N)s1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSB P07858 11/20 0.38
CTSS P25774 11/20 0.38
CTSK P43235 2/20 0.38
CTSF Q9UBX1 2/20 0.38
CTSL P07711 2/20 0.38
SMN1; SMN2 Q16637 4/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
EPHX2 P34913 1/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
USP2 O75604 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL6740880 1.00 CTSB (0.38) CTSBCTSSCTSKCTSFCTSL
SCHEMBL6740157 0.87 CTSS (0.46) CTSBCTSSCTSKCTSFCTSL
SCHEMBL7547881 0.87 CTSB (0.41) CTSBCTSSCTSKCTSFCTSL
SCHEMBL6063679 0.86 CTSB (0.50) CTSBCTSSCTSKCTSFCTSL
SCHEMBL7658551 0.86 CTSL (0.52) CTSBCTSSCTSKCTSFCTSL
SCHEMBL1990971 0.86 CTSS (0.54) CTSBCTSSCTSKCTSFCTSL
SCHEMBL21403460 0.86 CTSS (0.54) CTSBCTSSCTSKCTSFCTSL
SCHEMBL6741608 0.84 CTSL (0.46) CTSBCTSSCTSKCTSFCTSL
SCHEMBL1558021 0.84 CTSL (0.46) CTSBCTSSCTSKCTSFCTSL
SCHEMBL6062766 0.84 CTSS (0.39) CTSBCTSSCTSKCTSFCTSL

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 20 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-20180177747-A1 Paediatric Compositions For Treating Multiple Sclerosis NOVARTIS AG (CH) 2018-06-28 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
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
US-20110152380-A1 Paediatric Compositions For Treating Multiple Sclerosis NOVARTIS AG (CH) 2011-06-23 US 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
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 (13 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 CTSB 1192/4885CTSS 2364/4885CTSK 1565/4885
US-20190117593-A1 Paediatric Compositions for Treating Multiple Sclerosis SMN1; SMN2, PMP22, CFTR CTSB 1116/4885CTSS 2385/4885CTSK 1583/4885
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 CTSB 3963/4885CTSS 4227/4885CTSK 4692/4885
US-20160206574-A1 Paediatric Compositions For Treating Multiple Sclerosis SMN1; SMN2, PMP22, CFTR CTSB 986/4885CTSS 2185/4885CTSK 1420/4885
US-20120225031-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS IN THE TREATMENT OF DEMYELINATING DISORDERS S1PR1, S1PR2, S1PR4 CTSB 2719/4885CTSS 3240/4885CTSK 4121/4885
US-20160022611-A1 Paediatric Compositions For Treating Multiple Sclerosis SMN1; SMN2, PMP22, CFTR CTSB 986/4885CTSS 2185/4885CTSK 1420/4885
US-20110152380-A1 Paediatric Compositions For Treating Multiple Sclerosis SMN1; SMN2, PMP22, CFTR CTSB 1116/4885CTSS 2385/4885CTSK 1583/4885
US-20170333368-A1 Paediatric Compositions For Treating Multiple Sclerosis SMN1; SMN2, PMP22, CFTR CTSB 1079/4885CTSS 2266/4885CTSK 1565/4885
US-20180177747-A1 Paediatric Compositions For Treating Multiple Sclerosis SMN1; SMN2, PMP22, CFTR CTSB 986/4885CTSS 2185/4885CTSK 1420/4885
US-20060046979-A1 Combination therapy of sphingosine-1-phosphate (S1P) receptor agonist and coagent for treating demylination disease S1PR1, S1PR4, S1PR2 CTSB 1516/4885CTSS 1619/4885CTSK 2919/4885
US-20200197334-A1 Paediatric Compositions For Treating Multiple Sclerosis SMN1; SMN2, PMP22, CFTR CTSB 986/4885CTSS 2185/4885CTSK 1420/4885
US-20140271541-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS IN THE TREATMENT OF DEMYELINATING DISORDERS S1PR1, S1PR2, S1PR4 CTSB 2719/4885CTSS 3240/4885CTSK 4121/4885
US-20170128389-A1 Paediatric Compositions For Treating Multiple Sclerosis SMN1; SMN2, PMP22, CFTR CTSB 986/4885CTSS 2185/4885CTSK 1420/4885

“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.