SCHEMBL394207

SCHEMBL394207

CCOc1cccc(-c2cc(C(C)(C)C)c(O)cc2NC(=O)c2c[nH]c3ccccc3c2=O)c1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CFTR P13569 18/20 0.66
ADORA3 P0DMS8 1/20 0.66
ADRB3 P13945 1/20 0.66
TBXA2R P21731 1/20 0.66
SLC6A2 P23975 1/20 0.66
AGTR1 P30556 1/20 0.66
MC4R P32245 1/20 0.66
PTGS2 P35354 1/20 0.66
SLC6A3 Q01959 1/20 0.66
POLB P06746 1/20 0.48
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL4191680 0.88 CFTR (0.50) CFTRADORA3ADRB3TBXA2RSLC6A2
SCHEMBL4169561 0.88 CFTR (0.49) CFTRADORA3ADRB3TBXA2RSLC6A2
SCHEMBL4169563 0.88 CFTR (0.49) CFTRADORA3ADRB3TBXA2RSLC6A2
SCHEMBL4169558 0.88 CFTR (0.49) CFTRADORA3ADRB3TBXA2RSLC6A2
SCHEMBL396594 0.86 CFTR (0.69) CFTRADORA3ADRB3TBXA2RSLC6A2
SCHEMBL395692 0.86 CFTR (0.69) CFTRADORA3ADRB3TBXA2RSLC6A2
SCHEMBL13877209 0.86 CFTR (0.47) CFTRADORA3ADRB3TBXA2RSLC6A2
SCHEMBL1684346 0.85 CFTR (0.71) CFTRADORA3ADRB3TBXA2RSLC6A2
SCHEMBL398677 0.85 CFTR (0.60) CFTRADORA3ADRB3TBXA2RSLC6A2
SCHEMBL4174378 0.84 POLB (0.46) 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 73 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
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-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-05-16 US disclosed
EP-3216787-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2017-09-13 EP 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-20090105272-A1 Prodrugs of modulators of ABC transporters VERTEX PHARMACEUTICALS INCORPORATED 2009-04-23 US disclosed
US-20090105272-A1 Prodrugs of modulators of ABC transporters VERTEX PHARMACEUTICALS INCORPORATED 2009-04-23 US disclosed
US-7495103-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-24 US disclosed
EP-1979367-A2 QUINOLIN-4-ONE DERIVATIVES AS MODULATORS OF ABC TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2008-10-15 EP disclosed
US-20080071095-A1 Cystic fibrosis transmembrane conductance VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 US disclosed
WO-2007075901-A2 QUINOLIN- 4 - ONE DERIVATIVES AS MODULATORS OF ABC TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-07-05 WO disclosed
WO-2007075901-A2 QUINOLIN- 4 - ONE DERIVATIVES AS MODULATORS OF ABC TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-07-05 WO 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 (9 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 1/4885ADORA3 284/4885ADRB3 290/4885
US-20140187770-A9 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 CFTR 1/4885ADORA3 284/4885ADRB3 290/4885
US-20090105272-A1 Prodrugs of modulators of ABC transporters ABCB1, CFTR, ABCB11 CFTR 2/4885ADORA3 364/4885ADRB3 484/4885
US-10662192-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 CFTR 1/4885ADORA3 284/4885ADRB3 290/4885
US-20130331567-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 CFTR 1/4885ADORA3 284/4885ADRB3 290/4885
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-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.