SCHEMBL395729

SCHEMBL395729

CC(C)(C)c1ccc(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CFTR P13569 19/20 1.00
ADORA3 P0DMS8 1/20 0.73
ADRB3 P13945 1/20 0.73
TBXA2R P21731 1/20 0.73
SLC6A2 P23975 1/20 0.73
AGTR1 P30556 1/20 0.73
MC4R P32245 1/20 0.73
PTGS2 P35354 1/20 0.73
SLC6A3 Q01959 1/20 0.73
MAOB P27338 1/20 0.64
GABRA1 P14867 1/20 0.61
GABRB1 P18505 1/20 0.61
GABRA5 P31644 1/20 0.61
GABRA3 P34903 1/20 0.61
GABRA2 P47869 1/20 0.61
GABRB2 P47870 1/20 0.61
GABRA4 P48169 1/20 0.61
GABRA6 Q16445 1/20 0.61

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
SCHEMBL21629465 0.94 CFTR (0.88) CFTRADORA3ADRB3TBXA2RSLC6A2
SCHEMBL2973385 0.89 CFTR (0.80) CFTRADORA3ADRB3TBXA2RSLC6A2
SCHEMBL397527 0.88 CFTR (1.00) CFTRADORA3ADRB3TBXA2RSLC6A2
SCHEMBL2976145 0.88 CFTR (1.00) CFTRADORA3ADRB3TBXA2RSLC6A2
SCHEMBL393603 0.87 CFTR (1.00) CFTRADORA3ADRB3TBXA2RSLC6A2
SCHEMBL396079 0.87 CFTR (1.00) CFTRADORA3ADRB3TBXA2RSLC6A2
SCHEMBL396270 0.87 CFTR (0.80) CFTRADORA3ADRB3TBXA2RSLC6A2
SCHEMBL397545 0.87 CFTR (1.00) CFTRADORA3ADRB3TBXA2RSLC6A2
SCHEMBL396475 0.86 CFTR (0.76) CFTRADORA3ADRB3TBXA2RSLC6A2
SCHEMBL396856 0.86 CFTR (0.76) CFTRADORA3ADRB3TBXA2RSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2502911-B1 Modulators of ATP-binding cassette transporters VERTEX PHARMA (US) 2017-04-05 EP 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
CN-107501099-B Modulators of ATP-binding cassette transporters 沃泰克斯药物股份有限公司 2021-03-19 CN disclosed
EP-3705477-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-09-09 EP disclosed
EP-3705477-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-09-09 EP disclosed
US-10759721-B2 Deuterated CFTR potentiators VERTEX PHARMACEUTICALS (EUROPE) LIMITED (GB) 2020-09-01 US disclosed
US-10759721-B2 Deuterated CFTR potentiators VERTEX PHARMACEUTICALS (EUROPE) LIMITED (GB) 2020-09-01 US disclosed
US-10662192-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-05-26 US disclosed
US-10662192-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-05-26 US disclosed
US-7495103-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-24 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-20080071095-A1 Cystic fibrosis transmembrane conductance VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 US disclosed
US-20080071095-A1 Cystic fibrosis transmembrane conductance VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 US disclosed
EP-1773816-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2007-04-18 EP 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
WO-2006002421-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-01-05 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-20140187770-A9 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 CFTR 1/4885ADORA3 284/4885ADRB3 290/4885
US-10662192-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 CFTR 1/4885ADORA3 284/4885ADRB3 290/4885
US-10759721-B2 Deuterated CFTR potentiators CFTR, SLC26A3, SLC26A4 CFTR 1/4885ADORA3 600/4885ADRB3 356/4885
US-20130331567-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 CFTR 1/4885ADORA3 284/4885ADRB3 290/4885
US-20080071095-A1 Cystic fibrosis transmembrane conductance CFTR, ABCB1, ABCC1 CFTR 1/4885ADORA3 491/4885ADRB3 324/4885
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders CFTR, ABCC4, ABCC2 CFTR 1/4885ADORA3 361/4885ADRB3 274/4885
US-20120232059-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 CFTR 1/4885ADORA3 187/4885ADRB3 269/4885

“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.