Sugi Predict

Sugi Predict / Compounds / SCHEMBL1721773

SCHEMBL1721773

SCHEMBL1721773

N#CCc1ccc2c(c1)OCOC2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 3/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ MIF P14174 1/20 0.33
▸ SLC6A4 P31645 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ ENPP2 Q13822 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ SLC6A2 P23975 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ MMP3 P08254 1/20 0.31
▸ CMA1 P23946 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ TSHR P16473 2/20 0.31
▸ PKM P14618 1/20 0.31

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
SCHEMBL1721517 0.87 SLC5A2 (0.38) TAAR1PIK3CAPIK3CGHTTMIF
SCHEMBL12188934 0.78 PARP1 (0.41) TAAR1SLC6A4CYP3A4MAPTCYP1A2
SCHEMBL700254 0.78 CYP3A4 (0.40) TAAR1SLC6A4CYP3A4MAPTCYP1A2
SCHEMBL29358232 0.78 TAAR1 (0.55) TAAR1HTTMIFSLC6A4CYP3A4
SCHEMBL141712 0.78 TAAR1 (0.55) TAAR1HTTMIFSLC6A4CYP3A4
SCHEMBL29790934 0.78 ENPP2 (0.37) ENPP2MMP3KDM4ETDP1TSHR
SCHEMBL27582186 0.78 ENPP2 (0.37) ENPP2MMP3KDM4ETDP1TSHR
SCHEMBL3642604 0.77 CHRM2 (0.47) PIK3CAPIK3CGCYP3A4
SCHEMBL25837105 0.74 ESR1 (0.35) TAAR1SLC6A4CYP3A4MAPTCYP1A2
SCHEMBL25839246 0.74 TAAR1 (0.47) TAAR1SLC6A4CYP3A4MAPTSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220153729-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-05-19 — — US disclosed
US-20220153729-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-05-19 — — US disclosed
US-11084804-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-08-10 — — US disclosed
US-11084804-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-08-10 — — US disclosed
US-20210024505-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-01-28 — — US disclosed
US-20210024505-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-01-28 — — US disclosed
EP-3696174-A1 HETEROCYCLIC MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-08-19 — — EP disclosed
EP-3696174-A1 HETEROCYCLIC MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-08-19 — — EP disclosed
US-10626111-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-04-21 — — US disclosed
US-10626111-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-04-21 — — US disclosed
US-20080306062-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2008-12-11 — — US disclosed
EP-1945632-A1 HETEROCYCLIC MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2008-07-23 — — EP 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-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
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
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
WO-2007056341-A1 HETEROCYCLIC MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-05-18 — — WO disclosed
WO-2007056341-A1 HETEROCYCLIC MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-05-18 — — 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 (7 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-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 TAAR1 3564/4885PIK3CA 1886/4885PIK3CG 2813/4885
US-20210024505-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 TAAR1 3137/4885PIK3CA 1018/4885PIK3CG 1405/4885
US-11084804-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 TAAR1 3137/4885PIK3CA 1018/4885PIK3CG 1405/4885
US-20220153729-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 TAAR1 3137/4885PIK3CA 1018/4885PIK3CG 1405/4885
US-20080113985-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 TAAR1 3137/4885PIK3CA 1018/4885PIK3CG 1405/4885
US-20080306062-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 TAAR1 3137/4885PIK3CA 1018/4885PIK3CG 1405/4885
US-10626111-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 TAAR1 2767/4885PIK3CA 1398/4885PIK3CG 1341/4885

“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.