SCHEMBL3046983

SCHEMBL3046983

CC(C)CC(=O)NC(=O)NC1CCCN(C(=O)Cc2cccc(-c3ccccn3)c2)CC1=O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.56
CTSL P07711 10/20 0.56
CTSS P25774 10/20 0.56
CTSB P07858 6/20 0.56
CTSV O60911 1/20 0.38
PDE2A O00408 1/20 0.37
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
MAP3K12 Q12852 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL3046987 0.85 CTSK (0.64) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4764918 0.85 CTSK (0.64) CTSKCTSLCTSSCTSBCTSV
SCHEMBL20915172 0.85 CTSK (0.64) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6578193 0.83 CTSK (0.48) CTSKCTSLCTSSCTSBHCRTR1
SCHEMBL4764907 0.82 CTSK (0.52) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7426454 0.79 CTSK (0.57) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5099441 0.79 CTSK (0.49) CTSKCTSLCTSSCTSBPDE2A
SCHEMBL6578588 0.78 CTSK (0.56) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5138706 0.76 CTSK (0.54) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5138704 0.76 CTSK (0.54) CTSKCTSLCTSSCTSBCTSV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210023027-A1 Paediatric Compositions For Treating Multiple Sclerosis NOVARTIS AG (CH) 2021-01-28 US disclosed
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-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-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-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
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 CTSK 1565/4885CTSL 2951/4885CTSS 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 CTSK 4692/4885CTSL 1980/4885CTSS 4227/4885
US-20160206574-A1 Paediatric Compositions For Treating Multiple Sclerosis SMN1; SMN2, PMP22, CFTR CTSK 1420/4885CTSL 2725/4885CTSS 2185/4885
US-20120225031-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS IN THE TREATMENT OF DEMYELINATING DISORDERS S1PR1, S1PR2, S1PR4 CTSK 4121/4885CTSL 2043/4885CTSS 3240/4885
US-20210023027-A1 Paediatric Compositions For Treating Multiple Sclerosis SMN1; SMN2, PMP22, CFTR CTSK 1445/4885CTSL 2711/4885CTSS 2163/4885
US-20170333368-A1 Paediatric Compositions For Treating Multiple Sclerosis SMN1; SMN2, PMP22, CFTR CTSK 1565/4885CTSL 2855/4885CTSS 2266/4885
US-20180177747-A1 Paediatric Compositions For Treating Multiple Sclerosis SMN1; SMN2, PMP22, CFTR CTSK 1420/4885CTSL 2725/4885CTSS 2185/4885
US-20200197334-A1 Paediatric Compositions For Treating Multiple Sclerosis SMN1; SMN2, PMP22, CFTR CTSK 1420/4885CTSL 2725/4885CTSS 2185/4885
US-20140271541-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS IN THE TREATMENT OF DEMYELINATING DISORDERS S1PR1, S1PR2, S1PR4 CTSK 4121/4885CTSL 2043/4885CTSS 3240/4885
US-20170128389-A1 Paediatric Compositions For Treating Multiple Sclerosis SMN1; SMN2, PMP22, CFTR CTSK 1420/4885CTSL 2725/4885CTSS 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.