SCHEMBL962140

SCHEMBL962140

CCc1cc2[nH]cc(C(=O)Nc3cc4[nH]ccc4cc3C(F)(F)F)c(=O)n2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 5/20 0.47
WDR5 P61964 3/20 0.41
PTPRC P08575 1/20 0.35
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
PTPRB P23467 1/20 0.35
PTPRE P23469 1/20 0.35
PTPN6 P29350 1/20 0.35
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
BRAF P15056 1/20 0.34
EPHX2 P34913 1/20 0.33
PPARG P37231 1/20 0.33
PTGES O14684 1/20 0.33
IRAK4 Q9NWZ3 2/20 0.33
CTNNB1 P35222 1/20 0.33
WNT3A P56704 1/20 0.33
ESR1 P03372 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32

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
SCHEMBL964007 0.78 CFTR (0.47) CFTRWDR5PTPRCPTPN2PTPN1
SCHEMBL963433 0.78 CFTR (0.47) CFTRTHRBPTGES
SCHEMBL964568 0.76 CFTR (0.51) CFTR
SCHEMBL2979446 0.72 CFTR (0.61) CFTRWDR5ESR1GABRA1GABRB1
SCHEMBL2979468 0.72 CFTR (0.61) CFTRWDR5ESR1GABRA1GABRB1
SCHEMBL397785 0.71 CFTR (0.81) CFTRGABRA1GABRB1GABRA5GABRA3
SCHEMBL2967643 0.71 CFTR (0.65) CFTRWDR5GABRA1GABRB1GABRA5
SCHEMBL963439 0.71 CFTR (0.57) CFTRGABRA1GABRB1GABRA5GABRA3
SCHEMBL13229687 0.70 CFTR (0.56) CFTRWDR5PTPRCPTPN2PTPN1
SCHEMBL961228 0.70 CFTR (0.59) CFTRWDR5PTPRCPTPN2PTPN1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051324-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-06-09 US claimed
US-20140073653-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-03-13 US claimed
US-8552006-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-10-08 US claimed
EP-2231671-B1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2013-04-24 EP claimed
US-20110008259-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-13 US claimed
EP-2231671-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2010-09-29 EP claimed
WO-2009076593-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-06-18 WO claimed
US-9051324-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-06-09 US disclosed
US-9051324-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-06-09 US disclosed
US-20140073653-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-03-13 US disclosed
US-20140073653-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-03-13 US disclosed
US-8552006-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-10-08 US disclosed
US-8552006-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-10-08 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 (2 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-20110008259-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, ABCB1, ABCC2 CFTR 1/4885WDR5 3837/4885PTPRC 1384/4885
US-20140073653-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, ABCB1, ABCC4 CFTR 1/4885WDR5 3608/4885PTPRC 2442/4885

“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.