SCHEMBL377152

SCHEMBL377152

CC(C)(C)c1cc(Br)c(COC(=O)OCc2cc([N+](=O)[O-])c(C(C)(C)C)cc2Br)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
TDP1 Q9NUW8 3/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
HTT P42858 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GALR3 O60755 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 3/20 0.33
POLB P06746 3/20 0.33
USP10 Q14694 1/20 0.33
LMNA P02545 2/20 0.33
GALR2 O43603 1/20 0.33
MITF O75030 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL377153 0.91 ALDH1A1 (0.38) ALDH1A1TDP1TSHRKMT2AMEN1
SCHEMBL377154 0.91 ALDH1A1 (0.38) ALDH1A1TDP1TSHRKMT2AMEN1
SCHEMBL28413275 0.87 ALDH1A1 (0.41) ALDH1A1TDP1TSHRKMT2AMEN1
SCHEMBL28556720 0.84 MAPT (0.40) ALDH1A1TDP1TSHRKMT2AMEN1
SCHEMBL2974511 0.80 ALDH1A1 (0.40) ALDH1A1TDP1TSHRKMT2AMEN1
SCHEMBL769470 0.79 ALDH1A1 (0.38) ALDH1A1TDP1TSHRKMT2AMEN1
SCHEMBL28539173 0.78 ALDH1A1 (0.39) ALDH1A1TDP1TSHRKMT2AMEN1
SCHEMBL27869482 0.78 ALDH1A1 (0.40) ALDH1A1TDP1TSHRKMT2AMEN1
SCHEMBL28556722 0.75 MAPT (0.39) ALDH1A1TDP1TSHRKMT2AMEN1
SCHEMBL376867 0.73 SMN1; SMN2 (0.47) ALDH1A1TDP1TSHRKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3330255-B1 PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2020-12-09 EP disclosed
EP-3330255-A1 PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2018-06-06 EP disclosed
EP-2408749-B1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2018-05-16 EP disclosed
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
US-8614325-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-12-24 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
EP-2408750-A1 PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2012-01-25 EP disclosed
EP-2408749-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2012-01-25 EP disclosed
US-20100267768-A1 PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-21 US disclosed
WO-2010108155-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-23 WO disclosed
WO-2010108162-A1 PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-23 WO 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 (8 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 ALDH1A1 948/4885TDP1 4850/4885TSHR 2315/4885
US-20130072522-A1 Process for Making Modulators of Cystic Fibrosis Transmembrane Conductance Regulator CFTR, SLC26A4, TMEM109 ALDH1A1 948/4885TDP1 4850/4885TSHR 2315/4885
US-20100267768-A1 PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SLC26A4, TMEM109 ALDH1A1 948/4885TDP1 4850/4885TSHR 2315/4885
US-20170096396-A1 PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SLC26A4, TMEM109 ALDH1A1 948/4885TDP1 4850/4885TSHR 2315/4885
US-20120122921-A1 PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SLC26A4, TMEM109 ALDH1A1 948/4885TDP1 4850/4885TSHR 2315/4885
US-20160221952-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, CLCN2 ALDH1A1 2280/4885TDP1 4869/4885TSHR 1197/4885
US-20150315151-A2 PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SLC26A4, TMEM109 ALDH1A1 948/4885TDP1 4850/4885TSHR 2315/4885
US-20120071504-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, CLCN2 ALDH1A1 2280/4885TDP1 4869/4885TSHR 1197/4885

“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.