SCHEMBL4117705

SCHEMBL4117705

COc1ccccc1C(OCCN1CCCCC1)c1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)nc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
CFTR P13569 13/20 0.43
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL4116528 0.94 CFTR (0.43) GAACFTRTSHRKMT2AALDH1A1
SCHEMBL13653621 0.92 GAA (0.40) GAACFTRTSHRKMT2AALDH1A1
SCHEMBL1080572 0.89 CFTR (0.47) GAACFTRALDH1A1NPC1POLB
SCHEMBL4116791 0.89 CFTR (0.47) GAACFTRNPC1POLB
SCHEMBL4114598 0.88 CFTR (0.46) GAACFTRNPC1POLB
SCHEMBL1073698 0.87 CFTR (0.45) GAACFTRALDH1A1NPC1POLB
SCHEMBL1070932 0.86 CFTR (0.44) GAACFTRNPC1POLB
SCHEMBL13653772 0.85 KMT2A (0.39) GAACFTRTSHRKMT2AALDH1A1
SCHEMBL1073740 0.85 CFTR (0.47) GAACFTR
SCHEMBL4120628 0.84 CFTR (0.43) GAACFTRTSHRKMT2AALDH1A1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2980077-B1 PYRIDYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMA (US) 2020-05-06 EP disclosed
EP-2980077-A1 PYRIDYL DERIVATIVES AS CFTR MODULATORS Vertex Pharmaceuticals Incorporated (US) 2016-02-03 EP disclosed
EP-2980077-A1 PYRIDYL DERIVATIVES AS CFTR MODULATORS Vertex Pharmaceuticals Incorporated (US) 2016-02-03 EP disclosed
EP-2615085-B1 Pyridyl derivatives as CFTR modulators VERTEX PHARMA (US) 2015-08-26 EP disclosed
US-8889875-B2 Pyridyl derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-11-18 US disclosed
US-8889875-B2 Pyridyl derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-11-18 US disclosed
US-8889875-B2 Pyridyl derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-11-18 US disclosed
US-20130317020-A1 Pyridyl Derivatives as CFTR Modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-28 US disclosed
EP-2271621-B1 PYRIDYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMA (US) 2013-11-20 EP disclosed
US-8524910-B2 Pyridyl derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-03 US disclosed
EP-2615085-A1 Pyridyl derivatives as CFTR modulators Vertex Pharmaceuticals Incorporated (US) 2013-07-17 EP disclosed
US-20120270869-A1 PYRIDYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-25 US disclosed
US-20120270869-A1 PYRIDYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-25 US disclosed
US-20120270869-A1 PYRIDYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-25 US disclosed
US-8227615-B2 Pyridyl derivatives as CFTR modulators VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-07-24 US disclosed
US-8227615-B2 Pyridyl derivatives as CFTR modulators VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-07-24 US disclosed
US-8227615-B2 Pyridyl derivatives as CFTR modulators VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-07-24 US disclosed
US-20090246137-A1 PYRIDYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-01 US disclosed
US-20090246137-A1 PYRIDYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-01 US disclosed
US-20090246137-A1 PYRIDYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-01 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 (3 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-20090246137-A1 PYRIDYL DERIVATIVES AS CFTR MODULATORS CFTR, ABCC4, ABCB1 GAA 841/4885CFTR 1/4885TSHR 2555/4885
US-20130317020-A1 Pyridyl Derivatives as CFTR Modulators CFTR, ABCC4, ABCB1 GAA 841/4885CFTR 1/4885TSHR 2555/4885
US-20120270869-A1 PYRIDYL DERIVATIVES AS CFTR MODULATORS CFTR, ABCC4, ABCB1 GAA 841/4885CFTR 1/4885TSHR 2555/4885

“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.