Sugi Predict

Sugi Predict / Compounds / SCHEMBL1723580

SCHEMBL1723580

SCHEMBL1723580

C[SiH](C)OC(C1CCCN1S(=O)(=O)c1ccc(-c2cccc(NC(=O)OC(C)(C)C)n2)cc1)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 3/20 0.37
▸ KCNQ1 P51787 8/20 0.36
▸ NAMPT P43490 1/20 0.36
▸ LMNA P02545 3/20 0.36
▸ HTT P42858 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ HCRTR1 O43613 1/20 0.36
▸ HCRTR2 O43614 1/20 0.36
▸ MMP8 P22894 4/20 0.36
▸ MMP3 P08254 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MMP2 P08253 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34

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
SCHEMBL1722318 0.81 BRD4 (0.47) SCN9AKCNQ1NAMPTLMNAHTT
SCHEMBL10282718 0.81 BRD4 (0.47) SCN9AKCNQ1NAMPTLMNAHTT
SCHEMBL1723176 0.79 KCNQ1 (0.37) SCN9AKCNQ1NAMPTLMNAHTT
SCHEMBL1723175 0.77 NAMPT (0.39) SCN9AKCNQ1NAMPTLMNAHTT
SCHEMBL12170343 0.77 NAMPT (0.39) SCN9AKCNQ1NAMPTLMNAHTT
SCHEMBL1722223 0.73 HCRTR1 (0.42) LMNAHTTHCRTR1HCRTR2MMP3
SCHEMBL3298364 0.73 HCRTR1 (0.42) LMNAHTTHCRTR1HCRTR2MMP3
SCHEMBL29574989 0.70 SCN9A (0.47) SCN9AKDM4E
SCHEMBL1721714 0.70 SCN9A (0.47) SCN9AKDM4E
SCHEMBL14039424 0.69 SCN9A (0.43) SCN9ANAMPTMMP2MMP9

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 44 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-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
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-20190322650-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-10-24 — — US disclosed
US-20180282311-A9 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-10-04 — — US disclosed
EP-3208272-A1 HETEROCYCLIC MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2017-08-23 — — EP disclosed
US-20170107205-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-04-20 — — US disclosed
US-20170107206-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-04-20 — — 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-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
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-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

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

For each of this compound's patents that has machine-readable text (13 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 SCN9A 696/4885KCNQ1 511/4885NAMPT 723/4885
US-20170107205-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 SCN9A 696/4885KCNQ1 511/4885NAMPT 723/4885
US-20190322650-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 SCN9A 696/4885KCNQ1 511/4885NAMPT 723/4885
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 SCN9A 1710/4885KCNQ1 730/4885NAMPT 1089/4885
US-20210024505-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 SCN9A 696/4885KCNQ1 511/4885NAMPT 723/4885
US-11084804-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 SCN9A 696/4885KCNQ1 511/4885NAMPT 723/4885
US-20220153729-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 SCN9A 696/4885KCNQ1 511/4885NAMPT 723/4885
US-20080113985-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 SCN9A 696/4885KCNQ1 511/4885NAMPT 723/4885
US-20100210638-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 SCN9A 696/4885KCNQ1 511/4885NAMPT 723/4885
US-20080306062-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 SCN9A 696/4885KCNQ1 511/4885NAMPT 723/4885
US-10626111-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 SCN9A 823/4885KCNQ1 476/4885NAMPT 448/4885
US-20170107206-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 SCN9A 696/4885KCNQ1 511/4885NAMPT 723/4885
US-20180282311-A9 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 SCN9A 696/4885KCNQ1 511/4885NAMPT 723/4885

“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.