SCHEMBL1990971

SCHEMBL1990971

Cc1ccc(C(=O)N[C@@H](CS(=O)(=O)Cc2ccccc2OC(F)F)C(=O)NCC#N)s1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSS P25774 14/20 0.54
CTSB P07858 13/20 0.54
CTSK P43235 4/20 0.49
CTSF Q9UBX1 1/20 0.49
CTSL P07711 8/20 0.47

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
SCHEMBL21403460 1.00 CTSS (0.54) CTSSCTSBCTSKCTSFCTSL
SCHEMBL1556742 0.87 CTSS (0.65) CTSSCTSBCTSKCTSFCTSL
SCHEMBL1556740 0.87 CTSS (0.65) CTSSCTSBCTSKCTSFCTSL
SCHEMBL6737504 0.87 CTSL (0.63) CTSSCTSBCTSKCTSL
SCHEMBL6737501 0.87 CTSL (0.63) CTSSCTSBCTSKCTSL
SCHEMBL6737520 0.86 CTSB (0.69) CTSSCTSBCTSKCTSFCTSL
SCHEMBL1990970 0.86 CTSB (0.38) CTSSCTSBCTSKCTSFCTSL
SCHEMBL6740880 0.86 CTSB (0.38) CTSSCTSBCTSKCTSFCTSL
SCHEMBL6744795 0.84 CTSL (0.57) CTSSCTSBCTSKCTSL
SCHEMBL1558022 0.84 CTSL (0.57) CTSSCTSBCTSKCTSL

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040014796-A1 Novel compounds and compositions as cathepsin S inhititors AXYS PHARMACEUTICALS, INC. 2004-01-22 US claimed
US-6492362-B1 Compounds and compositions as cathepsin S inhibitors AXYS PHARMACEUTICALS, INC. 2002-12-10 US claimed
WO-2001019808-A1 CHEMICAL COMPOUNDS AND COMPOSITIONS AND THEIR USE AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-03-22 WO claimed
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-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
US-20040014796-A1 Novel compounds and compositions as cathepsin S inhititors AXYS PHARMACEUTICALS, INC. 2004-01-22 US disclosed
US-6492362-B1 Compounds and compositions as cathepsin S inhibitors AXYS PHARMACEUTICALS, INC. 2002-12-10 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 (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-20190117593-A1 Paediatric Compositions for Treating Multiple Sclerosis SMN1; SMN2, PMP22, CFTR CTSS 2385/4885CTSB 1116/4885CTSK 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 CTSS 4227/4885CTSB 3963/4885CTSK 4692/4885
US-20160206574-A1 Paediatric Compositions For Treating Multiple Sclerosis SMN1; SMN2, PMP22, CFTR CTSS 2185/4885CTSB 986/4885CTSK 1420/4885
US-20110152380-A1 Paediatric Compositions For Treating Multiple Sclerosis SMN1; SMN2, PMP22, CFTR CTSS 2385/4885CTSB 1116/4885CTSK 1583/4885
US-20170333368-A1 Paediatric Compositions For Treating Multiple Sclerosis SMN1; SMN2, PMP22, CFTR CTSS 2266/4885CTSB 1079/4885CTSK 1565/4885
US-20180177747-A1 Paediatric Compositions For Treating Multiple Sclerosis SMN1; SMN2, PMP22, CFTR CTSS 2185/4885CTSB 986/4885CTSK 1420/4885
US-20060046979-A1 Combination therapy of sphingosine-1-phosphate (S1P) receptor agonist and coagent for treating demylination disease S1PR1, S1PR4, S1PR2 CTSS 1619/4885CTSB 1516/4885CTSK 2919/4885
US-20200197334-A1 Paediatric Compositions For Treating Multiple Sclerosis SMN1; SMN2, PMP22, CFTR CTSS 2185/4885CTSB 986/4885CTSK 1420/4885
US-20170128389-A1 Paediatric Compositions For Treating Multiple Sclerosis SMN1; SMN2, PMP22, CFTR CTSS 2185/4885CTSB 986/4885CTSK 1420/4885
US-20040014796-A1 Novel compounds and compositions as cathepsin S inhititors CTSS, CTSB, CTSE CTSS 1/4885CTSB 2/4885CTSK 9/4885

“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.