Sugi Predict

Sugi Predict / Compounds / SCHEMBL6186624

SCHEMBL6186624

SCHEMBL6186624

CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc(Cl)cc4)CCCC3)ccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 1/20 0.56
▸ HDAC1 Q13547 2/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ NPSR1 Q6W5P4 3/20 0.50
▸ GAA P10253 1/20 0.50
▸ ALDH1A1 P00352 5/20 0.48
▸ HDAC4 P56524 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MAPT P10636 6/20 0.46
▸ LMNA P02545 4/20 0.46
▸ MAPK1 P28482 1/20 0.45
▸ FFAR2 O15552 2/20 0.42
▸ IDO1 P14902 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HTR1E P28566 1/20 0.41
▸ S1PR3 Q99500 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41

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
SCHEMBL12741574 0.99 CFTR (0.56) CFTRHDAC1SMN1; SMN2NPSR1GAA
SCHEMBL12741439 0.96 CFTR (0.58) CFTRHDAC1SMN1; SMN2NPSR1GAA
SCHEMBL23506675 0.92 CFTR (0.56) CFTRHDAC1SMN1; SMN2NPSR1GAA
SCHEMBL19752874 0.91 CFTR (0.56) CFTRHDAC1SMN1; SMN2NPSR1GAA
SCHEMBL12741503 0.90 CFTR (0.55) CFTRHDAC1SMN1; SMN2NPSR1GAA
SCHEMBL12741608 0.89 CFTR (0.54) CFTRHDAC1SMN1; SMN2NPSR1GAA
SCHEMBL20195007 0.89 CFTR (0.54) CFTRHDAC1SMN1; SMN2NPSR1GAA
SCHEMBL12741497 0.89 CFTR (0.72) CFTRHDAC1SMN1; SMN2NPSR1GAA
SCHEMBL12741813 0.88 CFTR (0.71) CFTRHDAC1SMN1; SMN2NPSR1GAA
SCHEMBL18213680 0.87 CFTR (0.58) CFTRHDAC1SMN1; SMN2NPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11639347-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-05-02 — — US disclosed
US-11639347-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-05-02 — — US disclosed
US-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-04-27 — — US disclosed
US-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-04-27 — — US disclosed
US-20220411410-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2022-12-29 — — US disclosed
US-10987348-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-04-27 — — US disclosed
US-10975061-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-04-13 — — US disclosed
US-20200115366-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2020-04-16 — — US disclosed
US-10239867-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-03-26 — — US disclosed
US-20190076419-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-03-14 — — US disclosed
US-20100113555-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-06 — — US disclosed
US-7645789-B2 Indole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-01-12 — — US disclosed
US-7645789-B2 Indole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-01-12 — — US disclosed
US-20090131492-A1 Indole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED 2009-05-21 — — US disclosed
US-20090131492-A1 Indole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED 2009-05-21 — — US disclosed
US-20070244159-A1 including Cystic Fibrosis Transmembrane Conductance Regulator (\"CFTR\"), such as 1-(Benzo[d][1,3]dioxol-5-yl)-N-(2-(1-hydroxy-2-methylpropan-2-yl)-1H-indol-5-yl)cyclopropanecarboxamide, used for the treatment of genetic disorders such as cystic fibrosis, emphysema, hemochromatosis and protein C deficiency VERTEX PHARMACEUTICALS INCORPORATED 2007-10-18 — — US disclosed
US-20070244159-A1 including Cystic Fibrosis Transmembrane Conductance Regulator (\"CFTR\"), such as 1-(Benzo[d][1,3]dioxol-5-yl)-N-(2-(1-hydroxy-2-methylpropan-2-yl)-1H-indol-5-yl)cyclopropanecarboxamide, used for the treatment of genetic disorders such as cystic fibrosis, emphysema, hemochromatosis and protein C deficiency VERTEX PHARMACEUTICALS INCORPORATED 2007-10-18 — — US disclosed
US-20050215614-A1 Substituted indoles and their use as hcv inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2005-09-29 — — US disclosed
EP-1554271-A1 SUBSTITUTED INDOLES AND THEIR USE AS HCV INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2005-07-20 — — EP disclosed
WO-2004035571-A1 SUBSTITUTED INDOLES AND THEIR USE AS HCV INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2004-04-29 — — 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 (12 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-20220411410-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 CFTR 1/4885HDAC1 3066/4885SMN1; SMN2 4738/4885
US-10987348-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 CFTR 1/4885HDAC1 3066/4885SMN1; SMN2 4738/4885
US-20050215614-A1 Substituted indoles and their use as hcv inhibitors IDO1, IDO2, HAVCR2 CFTR 2034/4885HDAC1 1194/4885SMN1; SMN2 4651/4885
US-10975061-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 CFTR 1/4885HDAC1 3066/4885SMN1; SMN2 4738/4885
US-20190076419-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 CFTR 1/4885HDAC1 3066/4885SMN1; SMN2 4738/4885
US-20090131492-A1 Indole derivatives as CFTR modulators CFTR, ABCB1, ABCB11 CFTR 1/4885HDAC1 3597/4885SMN1; SMN2 4876/4885
US-11639347-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 CFTR 1/4885HDAC1 3066/4885SMN1; SMN2 4738/4885
US-20200115366-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 CFTR 1/4885HDAC1 3066/4885SMN1; SMN2 4738/4885
US-20100113555-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 CFTR 1/4885HDAC1 3066/4885SMN1; SMN2 4738/4885
US-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 CFTR 1/4885HDAC1 3066/4885SMN1; SMN2 4738/4885
US-20070244159-A1 including Cystic Fibrosis Transmembrane Conductance Regulator (\"CFTR\"), such as 1-(Benzo[d][1,3]dioxol-5-yl)-N-(2-(1-hydroxy-2-methylpropan-2-yl)-1H-indol-5-yl)cyclopropanecarboxamide, used for the treatment of genetic disorders such as cystic fibrosis, emphysema, hemochromatosis and protein C deficiency CFTR, ABCD3, ABCC2 CFTR 1/4885HDAC1 3984/4885SMN1; SMN2 4596/4885
US-10239867-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 CFTR 1/4885HDAC1 3066/4885SMN1; SMN2 4738/4885

“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.