SCHEMBL396652

SCHEMBL396652

CCOC(=O)c1cc(NC(=O)c2c[nH]c3ccccc3c2=O)cc2[nH]ccc12

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CFTR P13569 17/20 0.61
GABRA1 P14867 1/20 0.60
GABRB1 P18505 1/20 0.60
GABRA5 P31644 1/20 0.60
GABRA3 P34903 1/20 0.60
GABRA2 P47869 1/20 0.60
GABRB2 P47870 1/20 0.60
GABRA4 P48169 1/20 0.60
GABRA6 Q16445 1/20 0.60
MAOB P27338 1/20 0.52

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
SCHEMBL2053654 0.84 CFTR (0.69) CFTRGABRA1GABRB1GABRA5GABRA3
SCHEMBL397036 0.82 CFTR (0.74) CFTRGABRA1GABRB1GABRA5GABRA3
SCHEMBL376662 0.79 GABRA1 (0.69) CFTRGABRA1GABRB1GABRA3GABRB2
SCHEMBL29475801 0.79 GABRA1 (0.69) CFTRGABRA1GABRB1GABRA3GABRB2
SCHEMBL16241559 0.79 CFTR (0.54) CFTRGABRA1GABRB1GABRA5GABRA3
Hydrochloric Acid SCHEMBL30417898 0.78 GABRA1 (0.67) CFTRGABRA1GABRB1GABRA3GABRB2
Hydrochloric Acid SCHEMBL29008098 0.78 GABRA1 (0.67) CFTRGABRA1GABRB1GABRA3GABRB2
SCHEMBL399229 0.78 CFTR (0.78) CFTRGABRA1GABRB1GABRA5GABRA3
SCHEMBL394299 0.76 CFTR (1.00) CFTRGABRA1GABRB1GABRA5GABRA3
SCHEMBL399063 0.76 CFTR (1.00) CFTRGABRA1GABRB1GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160101107-A1 COMPOUNDS AS MODULATORS OF A MUTANT CFTR PROTEIN AND THEIR USE FOR TREATING DISEASES ASSOCIATED WITH CFTR PROTEIN MALFUNCTION INSTYTUT BIOCHEMII I BIOFIZYKI PAN (PL) 2016-04-14 US claimed
EP-2826771-A2 Compounds as modulators of a mutant CFTR protein and their use for treating diseases associated with CFTR protein malfunction Instytut Biochemii I Biofizyki Polskiej Akademii Nauk (PL) 2015-01-21 EP claimed
EP-2502912-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-8101767-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-24 US claimed
US-20090227797-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-09-10 US claimed
EP-3705477-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-09-09 EP disclosed
US-10662192-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-05-26 US disclosed
EP-3216787-B1 INTERMEDIATES FOR THE PREPARATION OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2020-02-19 EP disclosed
US-10463639-B2 Compounds as modulators of a mutant CFTR protein and their use for treating diseases associated with CFTR protein malfunction INSTYTUT BIOCHEMII I BIOFIZYKI PAN (PL) 2019-11-05 US disclosed
US-10420738-B2 Compounds as modulators of a mutant CFTR protein and their use for treating diseases associated with CFTR protein malfunction INSTYTUT BIOCHEMII I BIOFIZYKI PAN (PL) 2019-09-24 US disclosed
US-10398665-B2 Compounds as modulators of a mutant CFTR protein and their use for treating diseases associated with CFTR protein malfunction INSTYTUT BIOCHEMII I BIOFIZYKI PAN (PL) 2019-09-03 US disclosed
US-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-05-16 US disclosed
US-20100184739-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-22 US 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 (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-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 CFTR 1/4885GABRA1 1047/4885GABRB1 306/4885
US-20100184739-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 CFTR 1/4885GABRA1 1047/4885GABRB1 306/4885
US-10398665-B2 Compounds as modulators of a mutant CFTR protein and their use for treating diseases associated with CFTR protein malfunction CFTR, TMEM161A, TMEM120A CFTR 1/4885GABRA1 1284/4885GABRB1 1661/4885
US-20090227797-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 CFTR 1/4885GABRA1 1047/4885GABRB1 306/4885
US-10662192-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 CFTR 1/4885GABRA1 1047/4885GABRB1 306/4885
US-10420738-B2 Compounds as modulators of a mutant CFTR protein and their use for treating diseases associated with CFTR protein malfunction CFTR, TMEM161A, TCOF1 CFTR 1/4885GABRA1 1513/4885GABRB1 1861/4885
US-20090298876-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 CFTR 1/4885GABRA1 1047/4885GABRB1 306/4885
US-20160101107-A1 COMPOUNDS AS MODULATORS OF A MUTANT CFTR PROTEIN AND THEIR USE FOR TREATING DISEASES ASSOCIATED WITH CFTR PROTEIN MALFUNCTION CFTR, TMEM161A, TCOF1 CFTR 1/4885GABRA1 1513/4885GABRB1 1861/4885
US-10463639-B2 Compounds as modulators of a mutant CFTR protein and their use for treating diseases associated with CFTR protein malfunction CFTR, TMEM161A, TCOF1 CFTR 1/4885GABRA1 1513/4885GABRB1 1861/4885
US-20080071095-A1 Cystic fibrosis transmembrane conductance CFTR, ABCB1, ABCC1 CFTR 1/4885GABRA1 974/4885GABRB1 289/4885
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders CFTR, ABCC4, ABCC2 CFTR 1/4885GABRA1 689/4885GABRB1 252/4885
US-20120232059-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 CFTR 1/4885GABRA1 865/4885GABRB1 377/4885

“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.