SCHEMBL4174033

SCHEMBL4174033

CC(C)(C)c1cc(C(C)(C)C)c(OP(=O)(O)O)cc1NC(=O)c1c[nH]c2ccccc2c1=O

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CFTR P13569 20/20 0.71
ADORA3 P0DMS8 1/20 0.71
ADRB3 P13945 1/20 0.71
TBXA2R P21731 1/20 0.71
SLC6A2 P23975 1/20 0.71
AGTR1 P30556 1/20 0.71
MC4R P32245 1/20 0.71
PTGS2 P35354 1/20 0.71
SLC6A3 Q01959 1/20 0.71

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
SCHEMBL4186066 0.99 CFTR (0.70) CFTRADORA3ADRB3TBXA2RSLC6A2
SCHEMBL4186073 0.99 CFTR (0.70) CFTRADORA3ADRB3TBXA2RSLC6A2
SCHEMBL4186068 0.91 CFTR (0.70) CFTRADORA3ADRB3TBXA2RSLC6A2
SCHEMBL26734614 0.89 CFTR (0.76) CFTRADORA3ADRB3TBXA2RSLC6A2
SCHEMBL17030124 0.88 CFTR (0.74) CFTRADORA3ADRB3TBXA2RSLC6A2
SCHEMBL17679503 0.88 CFTR (0.74) CFTRADORA3ADRB3TBXA2RSLC6A2
SCHEMBL25874767 0.88 CFTR (0.74) CFTRADORA3ADRB3TBXA2RSLC6A2
SCHEMBL26734206 0.88 CFTR (0.74) CFTRADORA3ADRB3TBXA2RSLC6A2
SCHEMBL22872817 0.87 CFTR (0.73) CFTRADORA3ADRB3TBXA2RSLC6A2
SCHEMBL6730386 0.87 CFTR (0.73) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150336898-A1 Prodrugs of Modulators of ABC Transporters VERTEX PHARMACEUTICALS INCORPORATED 2015-11-26 US disclosed
US-20150336898-A1 Prodrugs of Modulators of ABC Transporters VERTEX PHARMACEUTICALS INCORPORATED 2015-11-26 US disclosed
US-20150336898-A1 Prodrugs of Modulators of ABC Transporters VERTEX PHARMACEUTICALS INCORPORATED 2015-11-26 US disclosed
US-20140243289-A1 PRODRUGS OF MODULATORS OF ABC TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-28 US disclosed
US-20140243289-A1 PRODRUGS OF MODULATORS OF ABC TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-28 US disclosed
US-20140243289-A1 PRODRUGS OF MODULATORS OF ABC TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-28 US disclosed
US-20130303484-A1 Prodrugs of Modulators of ABC Transporters VERTEX PHARMACEUTICALS INCORPORATED 2013-11-14 US disclosed
US-20130303484-A1 Prodrugs of Modulators of ABC Transporters VERTEX PHARMACEUTICALS INCORPORATED 2013-11-14 US disclosed
US-20130303484-A1 Prodrugs of Modulators of ABC Transporters VERTEX PHARMACEUTICALS INCORPORATED 2013-11-14 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
EP-1979367-A2 QUINOLIN-4-ONE DERIVATIVES AS MODULATORS OF ABC TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2008-10-15 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20090105272-A1 Prodrugs of modulators of ABC transporters ABCB1, CFTR, ABCB11 CFTR 2/4885ADORA3 364/4885ADRB3 484/4885
US-20130303484-A1 Prodrugs of Modulators of ABC Transporters ABCB1, CFTR, ABCB11 CFTR 2/4885ADORA3 364/4885ADRB3 484/4885
US-20150336898-A1 Prodrugs of Modulators of ABC Transporters ABCB1, CFTR, ABCB11 CFTR 2/4885ADORA3 364/4885ADRB3 484/4885
US-20140243289-A1 PRODRUGS OF MODULATORS OF ABC TRANSPORTERS ABCB1, CFTR, ABCB11 CFTR 2/4885ADORA3 364/4885ADRB3 484/4885

“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.