SCHEMBL394208

SCHEMBL394208

O=C(Nc1ccc(F)cc1)c1c[nH]c2ccccc2c1=O

nearest known ligand 0.80

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CFTR P13569 18/20 0.80
MAOB P27338 1/20 0.67
GABRA1 P14867 1/20 0.65
GABRB1 P18505 1/20 0.65
GABRA5 P31644 1/20 0.65
GABRA3 P34903 1/20 0.65
GABRA2 P47869 1/20 0.65
GABRB2 P47870 1/20 0.65
GABRA4 P48169 1/20 0.65
GABRA6 Q16445 1/20 0.65
STING1 Q86WV6 1/20 0.60

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
SCHEMBL20567516 0.90 STING1 (0.64) CFTRGABRA1GABRB1GABRA5GABRA3
SCHEMBL398391 0.89 CFTR (1.00) CFTRMAOBGABRA1GABRB1GABRA5
SCHEMBL397928 0.86 CFTR (0.84) CFTRMAOBGABRA1GABRB1GABRA5
SCHEMBL398976 0.86 CFTR (0.80) CFTRMAOBGABRA1GABRB1GABRA5
SCHEMBL30492073 0.86 CFTR (0.80) CFTRMAOBGABRA1GABRB1GABRA5
SCHEMBL399686 0.86 CFTR (0.80) CFTRMAOBGABRA1GABRB1GABRA5
SCHEMBL29050150 0.86 CFTR (0.80) CFTRMAOBGABRA1GABRB1GABRA5
SCHEMBL396819 0.86 CFTR (0.78) CFTRMAOBGABRA1GABRB1GABRA5
SCHEMBL398153 0.84 CFTR (0.80) CFTRMAOBGABRA1GABRB1GABRA5
SCHEMBL29050135 0.84 CFTR (0.76) CFTRMAOBGABRA1GABRB1GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10336703-B2 Process for the synthesis of ivacaftor and related compounds COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2019-07-02 US claimed
US-20180127373-A1 PROCESS FOR THE SYNTHESIS OF IVACAFTOR AND RELATED COMPOUNDS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2018-05-10 US claimed
EP-2502911-B1 Modulators of ATP-binding cassette transporters VERTEX PHARMA (US) 2017-04-05 EP claimed
WO-2016181414-A1 PROCESS FOR THE SYNTHESIS OF IVACAFTOR AND RELATED COMPOUNDS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-11-17 WO claimed
US-20140187770-A9 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-07-03 US claimed
US-20130331567-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-12-12 US claimed
EP-2502911-A2 Modulators of ATP-binding cassette transporters Vertex Pharmaceuticals Incorporated (US) 2012-09-26 EP claimed
US-20120232059-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-13 US claimed
US-11505528-B2 Inhibitors of microbially induced amyloid AXIAL THERAPEUTICS, INC. (US) 2022-11-22 US disclosed
US-20220133634-A1 SUSTAINED RELEASE SOLID DOSAGE FORMS FOR MODULATING THE COLONIC MICROBIOME AXIAL THERAPEUTICS, INC. (US) 2022-05-05 US disclosed
US-20210052503-A1 SUSTAINED RELEASE SOLID DOSAGE FORMS FOR MODULATING THE COLONIC MICROBIOME AXIAL THERAPEUTICS, INC. (US) 2021-02-25 US disclosed
WO-2020227437-A1 SUSTAINED RELEASE SOLID DOSAGE FORMS FOR MODULATING THE COLONIC MICROBIOME AXIAL BIOTHERAPEUTICS, INC. (US) 2020-11-12 WO disclosed
US-20200290970-A1 INHIBITORS OF MICROBIALLY INDUCED AMYLOID AXIAL BIOTHERAPEUTICS, INC. (US) 2020-09-17 US disclosed
EP-3705477-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-09-09 EP disclosed
US-20090298876-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-12-03 US disclosed
US-20090246820-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH VERTEX PHARMACEUTICALS INCORPORATED 2009-10-01 US disclosed
US-20090227797-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-09-10 US disclosed
US-7495103-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-24 US disclosed
US-20080071095-A1 Cystic fibrosis transmembrane conductance VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 US disclosed
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders VERTEX PHARMACEUTICALS INCORPORATED 2006-04-06 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 (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-10336703-B2 Process for the synthesis of ivacaftor and related compounds AVPR1A, ACVR1, AVPR2 CFTR 390/4885MAOB 810/4885GABRA1 485/4885
US-20180127373-A1 PROCESS FOR THE SYNTHESIS OF IVACAFTOR AND RELATED COMPOUNDS AVPR1A, ACVR1, AVPR2 CFTR 390/4885MAOB 810/4885GABRA1 485/4885
US-11505528-B2 Inhibitors of microbially induced amyloid SNCA, PARK7, PRNP CFTR 2168/4885MAOB 553/4885GABRA1 1749/4885
US-20090227797-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 CFTR 1/4885MAOB 2865/4885GABRA1 1047/4885
US-20140187770-A9 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 CFTR 1/4885MAOB 2865/4885GABRA1 1047/4885
US-20210052503-A1 SUSTAINED RELEASE SOLID DOSAGE FORMS FOR MODULATING THE COLONIC MICROBIOME APC, SNCA, PARK7 CFTR 760/4885MAOB 852/4885GABRA1 2343/4885
US-20130331567-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 CFTR 1/4885MAOB 2865/4885GABRA1 1047/4885
US-20090298876-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 CFTR 1/4885MAOB 2865/4885GABRA1 1047/4885
US-20220133634-A1 SUSTAINED RELEASE SOLID DOSAGE FORMS FOR MODULATING THE COLONIC MICROBIOME APC, SNCA, PARK7 CFTR 760/4885MAOB 852/4885GABRA1 2343/4885
US-20080071095-A1 Cystic fibrosis transmembrane conductance CFTR, ABCB1, ABCC1 CFTR 1/4885MAOB 3796/4885GABRA1 974/4885
US-20200290970-A1 INHIBITORS OF MICROBIALLY INDUCED AMYLOID SNCA, PARK7, PRNP CFTR 2168/4885MAOB 553/4885GABRA1 1749/4885
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders CFTR, ABCC4, ABCC2 CFTR 1/4885MAOB 3602/4885GABRA1 689/4885
US-20120232059-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 CFTR 1/4885MAOB 3286/4885GABRA1 865/4885

“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.