Sugi Predict

Sugi Predict / Compounds / SCHEMBL1684359

SCHEMBL1684359

SCHEMBL1684359

O=C(O)C1(c2ccc3c(c2)OCO3)CCCC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.55
▸ AKR1C1 Q04828 1/20 0.51
▸ SLC6A3 Q01959 3/20 0.51
▸ CFTR P13569 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ LTB4R Q15722 10/20 0.48
▸ LTB4R2 Q9NPC1 10/20 0.48
▸ SLC6A4 P31645 2/20 0.48
▸ MEN1 O00255 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL3443921 0.97 HDAC1 (0.52) HDAC1AKR1C1SLC6A3CFTRALDH1A1
SCHEMBL699497 0.93 CFTR (0.54) HDAC1SLC6A3CFTRALDH1A1MAPK1
SCHEMBL38656463 0.88 CFTR (0.47) HDAC1SLC6A3CFTRALDH1A1MAPK1
SCHEMBL1466203 0.83 LMNA (0.46) CFTRMEN1NPC1POLBRAB9A
SCHEMBL18742602 0.83 HDAC1 (0.51) HDAC1SLC6A3CFTRALDH1A1MAPK1
SCHEMBL7526838 0.81 CFTR (0.45) HDAC1SLC6A3CFTRALDH1A1MAPK1
SCHEMBL1466610 0.81 CFTR (0.43) AKR1C1CFTRLTB4RLTB4R2
SCHEMBL3443510 0.79 HDAC1 (0.48) HDAC1SLC6A3CFTRALDH1A1MAPK1
SCHEMBL3928369 0.79 CFTR (0.50) HDAC1SLC6A3CFTRALDH1A1MAPK1
SCHEMBL15256569 0.79 CFTR (0.50) HDAC1SLC6A3CFTRALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20140329814-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases VERTEX PHARMA (US) 2014-11-06 — — US disclosed
US-8846753-B2 Modulators of ATP-binding cassette transporters VERTEX PHARAMACEUTICALS INCORPORATED (US) 2014-09-30 — — US disclosed
US-20140121208-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-05-01 — — US disclosed
US-20130296306-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-07 — — US disclosed
US-8524767-B2 Modulators of ATP binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-03 — — US disclosed
CN-101395147-B 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 PHARMA 2013-05-29 — — CN disclosed
EP-2016065-B1 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 PHARMA (US) 2012-09-19 — — EP disclosed
US-8039491-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-10-18 — — US disclosed
US-20110098311-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES Vertex Pharmaceuticals Incorported (US) 2011-04-28 — — US disclosed
US-20100249113-A1 MODULATORS OF ATP BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-30 — — US disclosed
US-20100105739-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2010-04-29 — — US disclosed
US-7691902-B2 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 (US) 2010-04-06 — — US disclosed
US-7671221-B2 Modulators of ATP-Binding Cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-03-02 — — US disclosed
CN-101395147-A 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 PHARMA (US) 2009-03-25 — — CN 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

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-20110098311-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES CFTR, SLC26A4, ABCB11 HDAC1 3064/4885AKR1C1 609/4885SLC6A3 337/4885
US-20140329814-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 HDAC1 3064/4885AKR1C1 609/4885SLC6A3 337/4885
US-20080009524-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 HDAC1 3066/4885AKR1C1 1131/4885SLC6A3 360/4885
US-20130296306-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 HDAC1 3066/4885AKR1C1 1131/4885SLC6A3 360/4885
US-20100105739-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 HDAC1 3066/4885AKR1C1 1131/4885SLC6A3 360/4885
US-20140121208-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 HDAC1 3064/4885AKR1C1 609/4885SLC6A3 337/4885
US-20150065497-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 HDAC1 3066/4885AKR1C1 1131/4885SLC6A3 360/4885
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 HDAC1 3380/4885AKR1C1 739/4885SLC6A3 1239/4885
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 HDAC1 3064/4885AKR1C1 609/4885SLC6A3 337/4885
US-20100249113-A1 MODULATORS OF ATP BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 HDAC1 2732/4885AKR1C1 1142/4885SLC6A3 389/4885
US-20150150879-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 HDAC1 3064/4885AKR1C1 609/4885SLC6A3 337/4885

“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.