SCHEMBL397759

SCHEMBL397759

CC(C)CCNC(=O)OC(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.61
GAA P10253 1/20 0.61
KMT2A Q03164 1/20 0.61
TDP1 Q9NUW8 1/20 0.55
KCNA5 P22460 1/20 0.52
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA12 O43570 2/20 0.45
CA9 Q16790 2/20 0.45
EPHX1 P07099 1/20 0.45
CA7 P43166 1/20 0.44
CTSS P25774 2/20 0.43
CTSK P43235 2/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
MALT1 Q9UDY8 1/20 0.42
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL6734909 0.89 MEN1 (0.54) MEN1GAAKMT2ATDP1KCNA5
SCHEMBL14405152 0.89 MEN1 (0.72) MEN1GAAKMT2ATDP1KCNA5
SCHEMBL12341542 0.87 MEN1 (0.65) MEN1GAAKMT2ATDP1KCNA5
SCHEMBL5761580 0.86 MEN1 (0.59) MEN1GAAKMT2ATDP1KCNA5
SCHEMBL12598786 0.86 MEN1 (0.59) MEN1GAAKMT2ATDP1KCNA5
SCHEMBL2368382 0.86 MEN1 (0.59) MEN1GAAKMT2ATDP1KCNA5
SCHEMBL1977051 0.86 MEN1 (0.59) MEN1GAAKMT2ATDP1KCNA5
SCHEMBL24664899 0.85 TDP1 (0.67) MEN1GAAKMT2ATDP1KCNA5
SCHEMBL6848535 0.85 TDP1 (0.67) MEN1GAAKMT2ATDP1KCNA5
SCHEMBL21794505 0.85 MEN1 (0.57) MEN1GAAKMT2ATDP1KCNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2502911-B1 Modulators of ATP-binding cassette transporters VERTEX PHARMA (US) 2017-04-05 EP claimed
US-20150336898-A1 Prodrugs of Modulators of ABC Transporters VERTEX PHARMACEUTICALS INCORPORATED 2015-11-26 US claimed
US-20150315186-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2015-11-05 US claimed
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases VERTEX PHARMA (US) 2015-08-20 US claimed
US-20150150879-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases VERTEX PHARMACEUTICALS INCORPORATED 2015-06-04 US claimed
US-20150065487-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2015-03-05 US claimed
US-20150031722-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2015-01-29 US claimed
US-20140329814-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases VERTEX PHARMA (US) 2014-11-06 US claimed
US-20140243289-A1 PRODRUGS OF MODULATORS OF ABC TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-28 US claimed
US-20140187770-A9 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-07-03 US claimed
US-20130303484-A1 Prodrugs of Modulators of ABC Transporters VERTEX PHARMACEUTICALS INCORPORATED 2013-11-14 US claimed
US-20130035327-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED 2013-02-07 US claimed
EP-2530075-A2 Modulators of ATP-binding cassette transporters Vertex Pharmaceuticals Incorporated (US) 2012-12-05 EP claimed
EP-1865949-B1 Modulators of ATP-binding cassette transporters VERTEX PHARMA (US) 2012-11-14 EP claimed
EP-2502911-A2 Modulators of ATP-binding cassette transporters Vertex Pharmaceuticals Incorporated (US) 2012-09-26 EP claimed
US-20110098311-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES Vertex Pharmaceuticals Incorported (US) 2011-04-28 US claimed
CN-101935301-A Modulators of ATP-binding cassette transporters VERTEX PHARMA 2011-01-05 CN claimed
CN-101891680-A The adjusting control agent of ATP- combination cassette transporters VERTEX PHARMA 2010-11-24 CN claimed
US-20090105272-A1 Prodrugs of modulators of ABC transporters VERTEX PHARMACEUTICALS INCORPORATED 2009-04-23 US claimed
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders VERTEX PHARMACEUTICALS INCORPORATED 2006-04-06 US claimed

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

For each of this compound's patents that has machine-readable text (14 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-20150031722-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 MEN1 4698/4885GAA 454/4885KMT2A 4245/4885
US-20110098311-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES CFTR, SLC26A4, ABCB11 MEN1 3122/4885GAA 969/4885KMT2A 4359/4885
US-20140329814-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 MEN1 3122/4885GAA 969/4885KMT2A 4359/4885
US-20140187770-A9 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 MEN1 4698/4885GAA 454/4885KMT2A 4245/4885
US-20090105272-A1 Prodrugs of modulators of ABC transporters ABCB1, CFTR, ABCB11 MEN1 4003/4885GAA 296/4885KMT2A 3733/4885
US-20150065487-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 MEN1 4698/4885GAA 454/4885KMT2A 4245/4885
US-20150315186-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 MEN1 4698/4885GAA 454/4885KMT2A 4245/4885
US-20130303484-A1 Prodrugs of Modulators of ABC Transporters ABCB1, CFTR, ABCB11 MEN1 4003/4885GAA 296/4885KMT2A 3733/4885
US-20130035327-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 MEN1 4698/4885GAA 454/4885KMT2A 4245/4885
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 MEN1 3122/4885GAA 969/4885KMT2A 4359/4885
US-20150336898-A1 Prodrugs of Modulators of ABC Transporters ABCB1, CFTR, ABCB11 MEN1 4003/4885GAA 296/4885KMT2A 3733/4885
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders CFTR, ABCC4, ABCC2 MEN1 4791/4885GAA 650/4885KMT2A 4510/4885
US-20140243289-A1 PRODRUGS OF MODULATORS OF ABC TRANSPORTERS ABCB1, CFTR, ABCB11 MEN1 4003/4885GAA 296/4885KMT2A 3733/4885
US-20150150879-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 MEN1 3122/4885GAA 969/4885KMT2A 4359/4885

“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.