SCHEMBL4174378

SCHEMBL4174378

CCOc1cccc(-c2cc(C(C)(C)C)c(OP(=O)(OCc3ccccc3)OCc3ccccc3)cc2NC(=O)c2c[nH]c3ccccc3c2=O)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
CFTR P13569 17/20 0.46
ADORA3 P0DMS8 1/20 0.46
ADRB3 P13945 1/20 0.46
TBXA2R P21731 1/20 0.46
SLC6A2 P23975 1/20 0.46
AGTR1 P30556 1/20 0.46
MC4R P32245 1/20 0.46
PTGS2 P35354 1/20 0.46
SLC6A3 Q01959 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
IGF1R P08069 1/20 0.40
MET P08581 1/20 0.40
SRC P12931 1/20 0.40

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
SCHEMBL15384081 0.94 POLB (0.46) POLBCFTRADORA3ADRB3TBXA2R
SCHEMBL15384944 0.90 CFTR (0.46) POLBCFTRADORA3ADRB3TBXA2R
SCHEMBL4191680 0.89 CFTR (0.50) POLBCFTRADORA3ADRB3TBXA2R
SCHEMBL4169561 0.89 CFTR (0.49) POLBCFTRADORA3ADRB3TBXA2R
SCHEMBL4169558 0.89 CFTR (0.49) POLBCFTRADORA3ADRB3TBXA2R
SCHEMBL4169563 0.89 CFTR (0.49) POLBCFTRADORA3ADRB3TBXA2R
SCHEMBL4174381 0.86 POLB (0.43) POLBCFTRADORA3ADRB3TBXA2R
SCHEMBL4177253 0.85 CFTR (0.62) CFTRADORA3ADRB3TBXA2RSLC6A2
SCHEMBL394207 0.84 CFTR (0.66) POLBCFTRADORA3ADRB3TBXA2R
SCHEMBL13877209 0.82 CFTR (0.47) POLBCFTRADORA3ADRB3TBXA2R

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 7 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-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-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

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 POLB 1787/4885CFTR 2/4885ADORA3 364/4885
US-20130303484-A1 Prodrugs of Modulators of ABC Transporters ABCB1, CFTR, ABCB11 POLB 1787/4885CFTR 2/4885ADORA3 364/4885
US-20150336898-A1 Prodrugs of Modulators of ABC Transporters ABCB1, CFTR, ABCB11 POLB 1787/4885CFTR 2/4885ADORA3 364/4885
US-20140243289-A1 PRODRUGS OF MODULATORS OF ABC TRANSPORTERS ABCB1, CFTR, ABCB11 POLB 1787/4885CFTR 2/4885ADORA3 364/4885

“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.