Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 3/20 | 0.60 |
| ▸ | MGLL | Q99685 | 4/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.50 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.50 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.50 |
| ▸ | CFD | P00746 | 1/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.48 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.48 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.48 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.48 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.48 |
| ▸ | F9 | P00740 | 1/20 | 0.48 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.47 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 1/20 | 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL12740173 | 0.90 | CYP17A1 (0.60) | CYP17A1MGLLHDAC1HDAC4ENPP2 | |
| SCHEMBL3789848 | 0.86 | CYP17A1 (0.62) | CYP17A1MGLLHDAC1HDAC4HDAC3 | |
| SCHEMBL165660 | 0.86 | AURKA (0.52) | CYP17A1HDAC1CFDHDAC3HDAC2 | |
| SCHEMBL29969056 | 0.86 | AURKA (0.52) | CYP17A1HDAC1CFDHDAC3HDAC2 | |
| SCHEMBL13754832 | 0.86 | CYP17A1 (0.64) | CYP17A1MGLLHDAC1HDAC4HDAC3 | |
| Hydrochloric Acid SCHEMBL307872 | 0.85 | AURKA (0.51) | CYP17A1HDAC1CFDHDAC3HDAC2 | |
| SCHEMBL1684329 | 0.83 | CYP17A1 (0.53) | CYP17A1MGLLHDAC1HDAC4ENPP2 | |
| SCHEMBL34480 | 0.83 | CYP17A1 (0.59) | CYP17A1HDAC3HDAC8MAP4K4 | |
| SCHEMBL3510402 | 0.83 | CYP17A1 (0.67) | CYP17A1MGLLHDAC1HDAC4HDAC3 | |
| SCHEMBL3786374 | 0.82 | CYP17A1 (0.57) | CYP17A1MGLLHDAC1HDAC4HDAC3 |
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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150231142-A1 | Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases | VERTEX PHARMA (US) | 2015-08-20 | — | — | US | disclosed |
| US-20150231142-A1 | Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases | VERTEX PHARMA (US) | 2015-08-20 | — | — | US | disclosed |
| US-20150231142-A1 | Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases | VERTEX PHARMA (US) | 2015-08-20 | — | — | US | disclosed |
| US-20150150879-A2 | Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases | VERTEX PHARMACEUTICALS INCORPORATED | 2015-06-04 | — | — | US | disclosed |
| US-20150065497-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED | 2015-03-05 | — | — | US | disclosed |
| US-20150065497-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED | 2015-03-05 | — | — | US | disclosed |
| US-20150065497-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED | 2015-03-05 | — | — | US | disclosed |
| US-20140329814-A2 | Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases | VERTEX PHARMA (US) | 2014-11-06 | — | — | US | disclosed |
| US-20140329814-A2 | Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases | VERTEX PHARMA (US) | 2014-11-06 | — | — | US | disclosed |
| US-20140329814-A2 | Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases | VERTEX PHARMA (US) | 2014-11-06 | — | — | US | disclosed |
| US-7671221-B2 | Modulators of ATP-Binding Cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-03-02 | — | — | US | disclosed |
| US-7671221-B2 | Modulators of ATP-Binding Cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-03-02 | — | — | US | disclosed |
| EP-2016065-A2 | 1-(BENZO[D][1,3]DIOXOL-5-YL)-N-(PHENYL)CYCLOPROPANE-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS FOR THE TREATMENT OF CYSTIC FIBROSIS | Vertex Pharmaceuticals Incorporated (US) | 2009-01-21 | — | — | EP | disclosed |
| WO-2009006315-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS FOR TREATING CYSTIC FIBROSIS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-01-08 | — | — | WO | disclosed |
| US-20080044355-A1 | including cystic fibrosis transmembrane conductance regulator (\"CFTR\"); amido-phenyl derivatives; genetic disorders; respiratory system disorders, cystic fibrosis, hereditary emphysema, hereditary hemochromatosis, coagulation-fibrinolysis and lipid processing deficiencies, lysosomal storage disease | VERTEX PHARMACEUTICALS INCORPORATED | 2008-02-21 | — | — | US | disclosed |
| US-20080044355-A1 | including cystic fibrosis transmembrane conductance regulator (\"CFTR\"); amido-phenyl derivatives; genetic disorders; respiratory system disorders, cystic fibrosis, hereditary emphysema, hereditary hemochromatosis, coagulation-fibrinolysis and lipid processing deficiencies, lysosomal storage disease | VERTEX PHARMACEUTICALS INCORPORATED | 2008-02-21 | — | — | US | disclosed |
| US-20080009524-A1 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED | 2008-01-10 | — | — | US | disclosed |
| US-20080009524-A1 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED | 2008-01-10 | — | — | US | disclosed |
| US-20080009524-A1 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED | 2008-01-10 | — | — | US | disclosed |
| WO-2007087066-A2 | 1-(BENZO [D] [1,3] DI0X0L-5-YL) -N- (PHENYL) CYCLOPROPANE- CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS FOR THE TREATMENT OF CYSTIC FIBROSIS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-08-02 | — | — | 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 (6 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20140329814-A2 | Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases | CFTR, SLC26A4, ABCB11 | CYP17A1 1889/4885MGLL 2842/4885HDAC1 3064/4885 |
| US-20080009524-A1 | Modulators of ATP-binding cassette transporters | CFTR, ABCB1, ABCC2 | CYP17A1 3527/4885MGLL 1602/4885HDAC1 3066/4885 |
| US-20150065497-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | CFTR, ABCB1, ABCC2 | CYP17A1 3527/4885MGLL 1602/4885HDAC1 3066/4885 |
| US-20080044355-A1 | including cystic fibrosis transmembrane conductance regulator (\"CFTR\"); amido-phenyl derivatives; genetic disorders; respiratory system disorders, cystic fibrosis, hereditary emphysema, hereditary hemochromatosis, coagulation-fibrinolysis and lipid processing deficiencies, lysosomal storage disease | CFTR, ABCB4, ABCF2 | CYP17A1 3388/4885MGLL 902/4885HDAC1 3380/4885 |
| US-20150231142-A1 | Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases | CFTR, SLC26A4, ABCB11 | CYP17A1 1889/4885MGLL 2842/4885HDAC1 3064/4885 |
| US-20150150879-A2 | Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases | CFTR, SLC26A4, ABCB11 | CYP17A1 1889/4885MGLL 2842/4885HDAC1 3064/4885 |
“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.