SCHEMBL4121673

SCHEMBL4121673

O=C(Nc1ncccc1OCc1ccccc1)C1(c2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PPIA P62937 20/20 0.62
PPIF P30405 1/20 0.53

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
SCHEMBL15109049 0.88 PPIA (0.55) PPIAPPIF
SCHEMBL4126561 0.85 CFTR (0.58) PPIA
SCHEMBL13653573 0.80 ALDH1A1 (0.52)
SCHEMBL7935544 0.80 PPIA (0.68) PPIAPPIF
SCHEMBL10424550 0.79 PPIA (0.74) PPIAPPIF
SCHEMBL15108961 0.78 ALDH1A1 (0.50)
SCHEMBL20424233 0.76 LTA4H (0.50) PPIA
SCHEMBL2335868 0.74 PPIA (0.64) PPIAPPIF
SCHEMBL9128285 0.73 PPIA (0.62) PPIAPPIF
SCHEMBL2783284 0.72 PPIA (0.58) PPIAPPIF

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-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-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 PPIA 611/4885PPIF 322/4885
US-20130317020-A1 Pyridyl Derivatives as CFTR Modulators CFTR, ABCC4, ABCB1 PPIA 611/4885PPIF 322/4885
US-20120270869-A1 PYRIDYL DERIVATIVES AS CFTR MODULATORS CFTR, ABCC4, ABCB1 PPIA 611/4885PPIF 322/4885

“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.