SCHEMBL799537

SCHEMBL799537

CCCCOc1ccc(C(C)(C)C)cc1C(C)(C)C=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.50
MAPT P10636 3/20 0.50
NPSR1 Q6W5P4 3/20 0.50
KDM4E B2RXH2 4/20 0.42
ESR1 P03372 1/20 0.41
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
GAA P10253 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NR1I2 O75469 4/20 0.39
HTT P42858 3/20 0.39
MEN1 O00255 2/20 0.39
UBE2N P61088 2/20 0.39
KMT2A Q03164 2/20 0.39
GLA P06280 1/20 0.39
MITF O75030 1/20 0.39
RXRA P19793 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
SCHEMBL4856058 0.86 KDM4E (0.47) MAPK1MAPTNPSR1KDM4EESR1
SCHEMBL799815 0.82 MAPT (0.52) MAPK1MAPTNPSR1KDM4EESR1
SCHEMBL6505962 0.80 CYP1A2 (0.49) MAPTKDM4ETHRBSMN1; SMN2GAA
SCHEMBL7456145 0.80 THRA (0.54) MAPK1MAPTNPSR1KDM4EESR1
SCHEMBL248004 0.79 ESR1 (0.44) MAPK1MAPTNPSR1KDM4EESR1
SCHEMBL799474 0.79 MAPK1 (0.44) MAPK1MAPTNPSR1KDM4EESR1
SCHEMBL10223630 0.79 KDM4E (0.50) MAPK1MAPTNPSR1KDM4EESR1
SCHEMBL799638 0.78 MAPT (0.43) MAPK1MAPTNPSR1KDM4EESR1
SCHEMBL15187973 0.78 KDM4E (0.66) MAPK1MAPTNPSR1KDM4EESR1
SCHEMBL986849 0.78 KDM4E (0.49) MAPK1MAPTNPSR1KDM4ETHRA

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 1708/4885MAPT 4884/4885NPSR1 2487/4885
US-20140012003-A1 PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SLC26A4, TMEM109 MAPK1 1708/4885MAPT 4884/4885NPSR1 2487/4885
US-20130072522-A1 Process for Making Modulators of Cystic Fibrosis Transmembrane Conductance Regulator CFTR, SLC26A4, TMEM109 MAPK1 1708/4885MAPT 4884/4885NPSR1 2487/4885
US-20100267768-A1 PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SLC26A4, TMEM109 MAPK1 1708/4885MAPT 4884/4885NPSR1 2487/4885
US-20150073015-A2 PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SLC26A4, TMEM109 MAPK1 1708/4885MAPT 4884/4885NPSR1 2487/4885
US-20140088142-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, CLCN2 MAPK1 2184/4885MAPT 4884/4885NPSR1 2267/4885
US-20170096396-A1 PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SLC26A4, TMEM109 MAPK1 1708/4885MAPT 4884/4885NPSR1 2487/4885
US-20120122921-A1 PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SLC26A4, TMEM109 MAPK1 1708/4885MAPT 4884/4885NPSR1 2487/4885
US-20160221952-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, CLCN2 MAPK1 2184/4885MAPT 4884/4885NPSR1 2267/4885
US-20150315151-A2 PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SLC26A4, TMEM109 MAPK1 1708/4885MAPT 4884/4885NPSR1 2487/4885
US-20140228400-A2 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator CFTR, SCNN1B, CLCN2 MAPK1 2184/4885MAPT 4884/4885NPSR1 2267/4885
US-20120071504-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, CLCN2 MAPK1 2184/4885MAPT 4884/4885NPSR1 2267/4885

“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.