SCHEMBL12170342

SCHEMBL12170342

Nc1cccc(-c2ccc(S(=O)(=O)N3CCC[C@@H]3CO)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 4/20 0.47
FEN1 P39748 3/20 0.47
LOX P28300 1/20 0.47
BRD4 O60885 1/20 0.47
BRD2 P25440 1/20 0.47
PLAU P00749 1/20 0.45
CDK5 Q00535 1/20 0.45
CDK5R1 Q15078 1/20 0.45
PIK3CD O00329 1/20 0.43
PIK3CG P48736 1/20 0.43
NAMPT P43490 2/20 0.42
HSD11B1 P28845 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 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
Hydrochloric Acid SCHEMBL1722419 0.99 ALOX5AP (0.47) ALOX5APFEN1LOXBRD4BRD2
Hydrochloric Acid SCHEMBL1722423 0.99 ALOX5AP (0.47) ALOX5APFEN1LOXBRD4BRD2
SCHEMBL16509656 0.87 BRD4 (0.47) ALOX5APFEN1LOXBRD4BRD2
SCHEMBL12189159 0.84 BRD4 (0.47) ALOX5APFEN1LOXBRD4BRD2
SCHEMBL10282726 0.84 BRD4 (0.47) LOXBRD4BRD2PLAUCDK5
SCHEMBL27987756 0.83 HSD11B1 (0.60) PLAUHSD11B1MMP2MMP9HSD17B10
SCHEMBL4606376 0.80 BRD4 (0.47) ALOX5APFEN1LOXBRD4BRD2
SCHEMBL1684351 0.80 LOX (0.51) ALOX5APFEN1LOXBRD4BRD2
SCHEMBL1684352 0.80 LOX (0.51) ALOX5APFEN1LOXBRD4BRD2
SCHEMBL15256572 0.79 BRD4 (0.57) ALOX5APFEN1LOXBRD4BRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170107205-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-04-20 US disclosed
US-20160143898-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-05-26 US disclosed
US-9216969-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-12-22 US disclosed
US-8993600-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-03-31 US disclosed
US-20150065500-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-03-05 US disclosed
US-8741933-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-03 US disclosed
US-20130245011-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED 2013-09-19 US disclosed
US-20130245010-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2013-09-19 US disclosed
EP-1945632-B1 HETEROCYCLIC MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2013-09-18 EP disclosed
US-20130237568-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2013-09-12 US disclosed
US-7956052-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-07 US disclosed
US-20100210638-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-19 US disclosed
US-7741321-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-22 US disclosed
US-7741321-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-22 US disclosed
US-20100087435-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-08 US disclosed
US-7659268-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-02-09 US disclosed
US-20080306062-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2008-12-11 US disclosed
US-20080113985-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2008-05-15 US disclosed
US-20080113985-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2008-05-15 US disclosed
US-20080019915-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"); N[6-(2-hydroxymethylphenyl-1yl)-5-methylpyrimidine][(4-methoxophenyl-1-yl)cyclopopyl]-amide; genetic disorders; respiratory system disorders, cystic fibrosis, hereditary emphysema and hemochromatosis, coagulation-fibrinolysis VERTEX PHARMACEUTICALS INCORPORATED 2008-01-24 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-20100087435-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALOX5AP 2479/4885FEN1 3609/4885LOX 3480/4885
US-20170107205-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALOX5AP 2479/4885FEN1 3609/4885LOX 3480/4885
US-20130245010-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALOX5AP 2856/4885FEN1 3333/4885LOX 3806/4885
US-20160143898-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALOX5AP 2479/4885FEN1 3609/4885LOX 3480/4885
US-20080019915-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"); N[6-(2-hydroxymethylphenyl-1yl)-5-methylpyrimidine][(4-methoxophenyl-1-yl)cyclopopyl]-amide; genetic disorders; respiratory system disorders, cystic fibrosis, hereditary emphysema and hemochromatosis, coagulation-fibrinolysis CFTR, ABCC8, ABCB1 ALOX5AP 974/4885FEN1 1172/4885LOX 1416/4885
US-20150065500-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 ALOX5AP 2479/4885FEN1 3609/4885LOX 3480/4885
US-20080113985-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 ALOX5AP 2479/4885FEN1 3609/4885LOX 3480/4885
US-20100210638-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALOX5AP 2479/4885FEN1 3609/4885LOX 3480/4885
US-20080306062-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALOX5AP 2479/4885FEN1 3609/4885LOX 3480/4885
US-20130237568-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALOX5AP 2479/4885FEN1 3609/4885LOX 3480/4885
US-20130245011-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 ALOX5AP 2856/4885FEN1 3333/4885LOX 3806/4885

“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.