SCHEMBL799474

SCHEMBL799474

CCCCOc1ccc(C(C)(C)C)cc1C(C)(C)CO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 6/20 0.44
NPSR1 Q6W5P4 6/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
MAPT P10636 5/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
HTT P42858 3/20 0.44
UBE2N P61088 2/20 0.44
GLA P06280 1/20 0.44
MITF O75030 1/20 0.44
ESR1 P03372 3/20 0.44
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 1/20 0.42
RAD52 P43351 2/20 0.40
STAT3 P40763 1/20 0.40
RCE1 Q9Y256 1/20 0.40
APAF1 O14727 1/20 0.40
HSP90AA1 P07900 1/20 0.40
RAB9A P51151 1/20 0.40
NOD2 Q9HC29 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
SCHEMBL4856058 0.86 KDM4E (0.47) MAPK1NPSR1SMN1; SMN2MAPTMEN1
SCHEMBL248004 0.82 ESR1 (0.44) MAPK1NPSR1SMN1; SMN2MAPTMEN1
SCHEMBL9083094 0.80 MAPK1 (0.64) MAPK1NPSR1SMN1; SMN2MAPTMEN1
SCHEMBL7456145 0.80 THRA (0.54) MAPK1NPSR1SMN1; SMN2MAPTMEN1
SCHEMBL799537 0.79 MAPK1 (0.50) MAPK1NPSR1SMN1; SMN2MAPTMEN1
SCHEMBL10223630 0.79 KDM4E (0.50) MAPK1NPSR1SMN1; SMN2MAPTGLA
SCHEMBL799834 0.79 ESR1 (0.46) MAPK1NPSR1SMN1; SMN2MAPTMEN1
SCHEMBL4801925 0.78 KDM4E (0.46) MAPK1NPSR1SMN1; SMN2MAPTMEN1
SCHEMBL799638 0.78 MAPT (0.43) MAPK1NPSR1SMN1; SMN2MAPTMEN1
SCHEMBL4623886 0.78 ESR1 (0.40) MAPK1NPSR1SMN1; SMN2MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170327456-A1 PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-11-16 US disclosed
EP-2821400-B1 PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2017-09-27 EP disclosed
US-9751839-B2 Process for making modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-09-05 US disclosed
US-20170096396-A1 PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-04-06 US disclosed
US-20160221952-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-08-04 US disclosed
US-9371287-B2 Process for making modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-06-21 US disclosed
US-20150315151-A2 PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2015-11-05 US disclosed
EP-2408750-B1 PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2015-08-26 EP disclosed
US-20150073015-A2 PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2015-03-12 US disclosed
EP-2821400-A1 Process for making modulators of cystic fibrosis transmembrane conductance regulator Vertex Pharmaceuticals Incorporated (US) 2015-01-07 EP disclosed
US-20140228400-A2 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator VERTEX PHARMACEUTICALS INCORPORATED 2014-08-14 US disclosed
US-8796308-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARAMACEUTICALS INCORPORATED (US) 2014-08-05 US disclosed
US-8765957-B2 Process for making modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-07-01 US disclosed
US-20140088142-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-03-27 US disclosed
US-20140012003-A1 PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-09 US disclosed
US-8476442-B2 Process for making modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICAL INCORPORATED (US) 2013-07-02 US disclosed
US-20130072522-A1 Process for Making Modulators of Cystic Fibrosis Transmembrane Conductance Regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-03-21 US disclosed
US-20120122921-A1 PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-17 US disclosed
US-20120071504-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-22 US disclosed
US-20100267768-A1 PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-21 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 (12 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-20170327456-A1 PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SLC26A4, TMEM109 MAPK1 1708/4885NPSR1 2487/4885SMN1; SMN2 4816/4885
US-20140012003-A1 PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SLC26A4, TMEM109 MAPK1 1708/4885NPSR1 2487/4885SMN1; SMN2 4816/4885
US-20130072522-A1 Process for Making Modulators of Cystic Fibrosis Transmembrane Conductance Regulator CFTR, SLC26A4, TMEM109 MAPK1 1708/4885NPSR1 2487/4885SMN1; SMN2 4816/4885
US-20100267768-A1 PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SLC26A4, TMEM109 MAPK1 1708/4885NPSR1 2487/4885SMN1; SMN2 4816/4885
US-20150073015-A2 PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SLC26A4, TMEM109 MAPK1 1708/4885NPSR1 2487/4885SMN1; SMN2 4816/4885
US-20140088142-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, CLCN2 MAPK1 2184/4885NPSR1 2267/4885SMN1; SMN2 4842/4885
US-20170096396-A1 PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SLC26A4, TMEM109 MAPK1 1708/4885NPSR1 2487/4885SMN1; SMN2 4816/4885
US-20120122921-A1 PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SLC26A4, TMEM109 MAPK1 1708/4885NPSR1 2487/4885SMN1; SMN2 4816/4885
US-20160221952-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, CLCN2 MAPK1 2184/4885NPSR1 2267/4885SMN1; SMN2 4842/4885
US-20150315151-A2 PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SLC26A4, TMEM109 MAPK1 1708/4885NPSR1 2487/4885SMN1; SMN2 4816/4885
US-20140228400-A2 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator CFTR, SCNN1B, CLCN2 MAPK1 2184/4885NPSR1 2267/4885SMN1; SMN2 4842/4885
US-20120071504-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, CLCN2 MAPK1 2184/4885NPSR1 2267/4885SMN1; SMN2 4842/4885

“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.