SCHEMBL8957613

SCHEMBL8957613

Cc1cc(C)c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1C

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CFTR P13569 19/20 0.66
ADORA3 P0DMS8 1/20 0.61
ADRB3 P13945 1/20 0.61
TBXA2R P21731 1/20 0.61
SLC6A2 P23975 1/20 0.61
AGTR1 P30556 1/20 0.61
MC4R P32245 1/20 0.61
PTGS2 P35354 1/20 0.61
SLC6A3 Q01959 1/20 0.61
MAOB P27338 1/20 0.58

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
SCHEMBL8957689 0.89 CFTR (0.62) CFTRADORA3ADRB3TBXA2RSLC6A2
SCHEMBL397939 0.88 CFTR (0.63) CFTRADORA3ADRB3TBXA2RSLC6A2
SCHEMBL394827 0.88 CFTR (0.65) CFTRADORA3ADRB3TBXA2RSLC6A2
SCHEMBL399901 0.87 CFTR (0.73) CFTRADORA3ADRB3TBXA2RSLC6A2
SCHEMBL30492065 0.86 CFTR (0.64) CFTRADORA3ADRB3TBXA2RSLC6A2
SCHEMBL29050127 0.86 CFTR (0.64) CFTRADORA3ADRB3TBXA2RSLC6A2
SCHEMBL396599 0.85 CFTR (0.69) CFTRADORA3ADRB3TBXA2RSLC6A2
SCHEMBL2029166 0.85 CFTR (0.61) CFTRADORA3ADRB3TBXA2RSLC6A2
SCHEMBL397411 0.84 CFTR (0.61) CFTRADORA3ADRB3TBXA2RSLC6A2
SCHEMBL2052432 0.84 CFTR (0.84) 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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180153874-A1 PHARMACEUTICAL COMPOSITIONS AND ADMINISTRATIONS THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-06-07 US disclosed
EP-2502911-B1 Modulators of ATP-binding cassette transporters VERTEX PHARMA (US) 2017-04-05 EP disclosed
US-20160318931-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-11-03 US disclosed
US-20160067239-A9 PHARMACEUTICAL COMPOSITIONS AND ADMINISTRATIONS THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2016-03-10 US disclosed
US-20160022665-A2 Pharmaceutical Compositions and Administrations Thereof VERTEX PHARMACEUTICALS INCORPORATED 2016-01-28 US disclosed
US-20150315186-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2015-11-05 US disclosed
US-20150293078-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH VERTEX PHARMACEUTICALS INCORPORATED 2015-10-15 US disclosed
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases VERTEX PHARMA (US) 2015-08-20 US disclosed
US-9090619-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-07-28 US disclosed
US-20150164883-A1 PHARMACEUTICAL COMPOSITIONS AND ADMINISTRATIONS THEREOF VERTEX PHARMA (US) 2015-06-18 US disclosed
US-8188283-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 US disclosed
US-8101767-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-24 US disclosed
US-20110098311-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES Vertex Pharmaceuticals Incorported (US) 2011-04-28 US disclosed
US-20100261750-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-14 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

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-20100184739-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 CFTR 1/4885ADORA3 284/4885ADRB3 290/4885
US-20150164883-A1 PHARMACEUTICAL COMPOSITIONS AND ADMINISTRATIONS THEREOF CFTR, ABCB11, SLC26A4 CFTR 1/4885ADORA3 790/4885ADRB3 677/4885
US-20180153874-A1 PHARMACEUTICAL COMPOSITIONS AND ADMINISTRATIONS THEREOF CFTR, ABCB11, ABCC5 CFTR 1/4885ADORA3 1102/4885ADRB3 768/4885
US-20090227797-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 CFTR 1/4885ADORA3 284/4885ADRB3 290/4885
US-20110098311-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES CFTR, SLC26A4, ABCB11 CFTR 1/4885ADORA3 677/4885ADRB3 495/4885
US-20160022665-A2 Pharmaceutical Compositions and Administrations Thereof CFTR, ABCB11, SLC26A4 CFTR 1/4885ADORA3 790/4885ADRB3 677/4885
US-20090298876-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 CFTR 1/4885ADORA3 284/4885ADRB3 290/4885
US-20150315186-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 CFTR 1/4885ADORA3 284/4885ADRB3 290/4885
US-20160067239-A9 PHARMACEUTICAL COMPOSITIONS AND ADMINISTRATIONS THEREOF CFTR, ABCB11, ABCC5 CFTR 1/4885ADORA3 1102/4885ADRB3 768/4885
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 CFTR 1/4885ADORA3 677/4885ADRB3 495/4885
US-20160318931-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-20100261750-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator CFTR, ABCB1, ABCC1 CFTR 1/4885ADORA3 566/4885ADRB3 339/4885

“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.