SCHEMBL1987463

SCHEMBL1987463

N#CCNC(=O)C(CS(=O)(=O)Cc1ccccc1OC(F)F)NC(=O)c1ccc2[nH]ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSS P25774 10/20 0.47
CTSB P07858 10/20 0.47
CTSL P07711 5/20 0.47
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
PADI4 Q9UM07 1/20 0.40
PADI2 Q9Y2J8 1/20 0.40
CTSK P43235 5/20 0.40

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
SCHEMBL1557323 1.00 CTSS (0.47) CTSSCTSBCTSLTAS1R3TAS1R1
SCHEMBL6737536 0.89 CTSB (0.54) CTSSCTSBCTSLCTSK
SCHEMBL6063145 0.87 TAS1R3 (0.42) CTSSCTSBCTSLTAS1R3TAS1R1
SCHEMBL6737504 0.86 CTSL (0.63) CTSSCTSBCTSLCTSK
SCHEMBL6737501 0.86 CTSL (0.63) CTSSCTSBCTSLCTSK
SCHEMBL1557818 0.86 CTSS (0.52) CTSSCTSBCTSLCTSK
SCHEMBL1558022 0.85 CTSL (0.57) CTSSCTSBCTSLCTSK
SCHEMBL6744795 0.85 CTSL (0.57) CTSSCTSBCTSLCTSK
SCHEMBL6062036 0.85 CTSB (0.51) CTSSCTSBCTSLCTSK
SCHEMBL7682670 0.84 CTSL (0.56) CTSSCTSBCTSLCTSK

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 16 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
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-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

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

For each of this compound's patents that has machine-readable text (11 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-20190117593-A1 Paediatric Compositions for Treating Multiple Sclerosis SMN1; SMN2, PMP22, CFTR CTSS 2385/4885CTSB 1116/4885CTSL 2929/4885
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 4227/4885CTSB 3963/4885CTSL 1980/4885
US-20160206574-A1 Paediatric Compositions For Treating Multiple Sclerosis SMN1; SMN2, PMP22, CFTR CTSS 2185/4885CTSB 986/4885CTSL 2725/4885
US-20120225031-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS IN THE TREATMENT OF DEMYELINATING DISORDERS S1PR1, S1PR2, S1PR4 CTSS 3240/4885CTSB 2719/4885CTSL 2043/4885
US-20110152380-A1 Paediatric Compositions For Treating Multiple Sclerosis SMN1; SMN2, PMP22, CFTR CTSS 2385/4885CTSB 1116/4885CTSL 2929/4885
US-20170333368-A1 Paediatric Compositions For Treating Multiple Sclerosis SMN1; SMN2, PMP22, CFTR CTSS 2266/4885CTSB 1079/4885CTSL 2855/4885
US-20180177747-A1 Paediatric Compositions For Treating Multiple Sclerosis SMN1; SMN2, PMP22, CFTR CTSS 2185/4885CTSB 986/4885CTSL 2725/4885
US-20060046979-A1 Combination therapy of sphingosine-1-phosphate (S1P) receptor agonist and coagent for treating demylination disease S1PR1, S1PR4, S1PR2 CTSS 1619/4885CTSB 1516/4885CTSL 1290/4885
US-20200197334-A1 Paediatric Compositions For Treating Multiple Sclerosis SMN1; SMN2, PMP22, CFTR CTSS 2185/4885CTSB 986/4885CTSL 2725/4885
US-20140271541-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS IN THE TREATMENT OF DEMYELINATING DISORDERS S1PR1, S1PR2, S1PR4 CTSS 3240/4885CTSB 2719/4885CTSL 2043/4885
US-20170128389-A1 Paediatric Compositions For Treating Multiple Sclerosis SMN1; SMN2, PMP22, CFTR CTSS 2185/4885CTSB 986/4885CTSL 2725/4885

“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.