SCHEMBL613025

SCHEMBL613025

OC(c1ccc(-c2ccoc2)cc1)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.38
ERN1 O75460 4/20 0.37
LPL P06858 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
MLYCD O95822 1/20 0.33
CETP P11597 1/20 0.33
CTSK P43235 2/20 0.32
KDM5B Q9UGL1 1/20 0.32
NR1I2 O75469 1/20 0.32
TOP2A P11388 1/20 0.32
PTPN5 P54829 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
P2RX3 P56373 1/20 0.31

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
SCHEMBL1235060 0.79 ALOX5 (0.37) ESR1ESR2
SCHEMBL14593355 0.76 ESR1 (0.48) KDM5BNR1I2ESR1ESR2
SCHEMBL8988146 0.75 ESR1 (0.58) ESR1ESR2
SCHEMBL12628146 0.75 KIF11 (0.46) SLC6A4SLC6A3NR1I2PTPN5
SCHEMBL4497165 0.75 KIF11 (0.46) SLC6A4SLC6A3NR1I2PTPN5
SCHEMBL4515042 0.73 PTPN5 (0.51) CTSKKDM5BPTPN5ESR1ESR2
SCHEMBL1772039 0.73 LPL (0.54) NPBWR1ERN1LPLLIPGSLC6A4
SCHEMBL27389583 0.73 LPL (0.38) NPBWR1ERN1LPLLIPGSLC6A4
SCHEMBL5013583 0.72 SYK (0.39) CTSKPTPN5ESR1ESR2
SCHEMBL609305 0.72 KIF11 (0.52) CTSKKDM5BNR1I2

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
EP-3808740-A1 ORAL DOSAGE FORMS COMPRISING 4-PHENYL-6-(2,2,2-TRIFLUORO-1-PHENYLETHOXY)PYRIMIDINE-BASED COMPOUNDS AND METHODS OF THEIR USE TerSera Therapeutics LLC (US) 2021-04-21 EP disclosed
EP-3176159-B1 4-PHENYL-6-(2,2,2-TRIFLUORO-1-PHENYLETHOXY)PYRIMIDINE-BASED COMPOUNDS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2020-10-21 EP disclosed
EP-2091940-B3 4-PHENYL-6-(2,2,2-TRIFLUORO-1-PHENYLETHOXY)PYRIMIDINE-BASED COMPOUNDS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2017-12-06 EP disclosed
EP-3176159-A1 4-PHENYL-6-(2,2,2-TRIFLUORO-1-PHENYLETHOXY)PYRIMIDINE-BASED COMPOUNDS AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2017-06-07 EP disclosed
EP-2589600-B1 4-phenyl-6-(2,2,2-trifluoro-1-phenylethoxy)pyrimidine-based compounds and methods of their use LEXICON PHARMACEUTICALS INC (US) 2017-02-15 EP disclosed
EP-2091940-B1 4-PHENYL-6-(2,2,2-TRIFLUORO-1-PHENYLETHOXY)PYRIMIDINE-BASED COMPOUNDS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2015-12-09 EP disclosed
US-8772482-B2 4-phenyl-6-(2,2,2-trifluoro-1-phenylethoxy)pyrimidine-based compounds and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2014-07-08 US disclosed
US-20130137635-A1 TRYPTOPHAN HYDROXYLASE INHIBITORS FOR THE TREATMENT OF METASTATIC BONE DISEASE LEXICON PHARMACEUTICALS, INC. (US) 2013-05-30 US disclosed
EP-2589600-A1 4-phenyl-6-(2,2,2-trifluoro-1-phenylethoxy)pyrimidine-based compounds and methods of their use Lexicon Pharmaceuticals, Inc. (US) 2013-05-08 EP disclosed
EP-2533778-A1 TRYPTOPHAN HYDROXYLASE INHIBITORS FOR THE TREATMENT OF METASTATIC BONE DISEASE Lexicon Pharmaceuticals, Inc. (US) 2012-12-19 EP disclosed
US-7968559-B2 Methods of using 4-phenyl-6-(2,2,2-trifluoro-1-phenylethoxy)pyrimidine-based compounds LEXICON PHARMACEUTICALS, INC. (US) 2011-06-28 US disclosed
WO-2011056916-A1 TRYPTOPHAN HYDROXYLASE INHIBITORS FOR THE TREATMENT OF CANCER LEXICON PHARMACEUTICALS, INC. (US) 2011-05-12 WO disclosed
US-20100311764-A1 Methods of using 4-Phenyl-6-(2,2,2-trifluoro-1-phenylethoxy)pyrimidine-Based Compounds TERSERA THERAPEUTICS LLC 2010-12-09 US disclosed
WO-2010065333-A1 4-PHENYL-6-(2,2,2-TRIFLUORO-1-PHENYLETHOXY)PYRIMIDINE-BASED COMPOUNDS FOR THE TREATMENT OF OSTEOPOROSIS LEXICON PHARMACEUTICALS, INC. (US) 2010-06-10 WO disclosed
US-7709493-B2 Tryptophan hydroxylase inhibitors; anticarcinogenic agents; gastrointestinal, cardiovascular, and respiratory system disorders; (S)-2-amino-3-[4-(2-amino-6-{R-1-[4-chloro-2-(3-methyl-pyrazol-1-yl)-phenyl]-2,2,2-trifluoro-ethoxy}-pyrimidin-4-yl)-phenyl]-propionic acid ethyl ester LEXICON PHARMACEUTICALS, INC. (US) 2010-05-04 US disclosed
US-20090286817-A1 Tryptophan hydroxylase inhibitors; anticarcinogenic agents; gastrointestinal, cardiovascular, and respiratory system disorders; (S)-2-amino-3-[4-(2-amino-6-{R-1-[4-chloro-2-(3-methyl-pyrazol-1-yl)-phenyl]-2,2,2-trifluoro-ethoxy}-pyrimidin-4-yl)-phenyl]-propionic acid ethyl ester TERSERA THERAPEUTICS LLC 2009-11-19 US disclosed
EP-2091940-A2 4-PHENYL-6-(2,2,2-TRIFLUORO-1-PHENYLETHOXY)PYRIMIDINE-BASED COMPOUNDS AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2009-08-26 EP disclosed
US-7553840-B2 Tryptophan hydroxylase inhibitors; anticarcinogenic agents; gastrointestinal, cardiovascular, and respiratory system disorders LEXICON PHARMACEUTICALS, INC. (US) 2009-06-30 US disclosed
US-20080153852-A1 Tryptophan hydroxylase inhibitors; anticarcinogenic agents; gastrointestinal, cardiovascular, and respiratory system disorders TERSERA THERAPEUTICS LLC 2008-06-26 US disclosed
WO-2008073933-A2 4-PHENYL-6-(2,2,2-TRIFLUORO-1-PHENYLETHOXY)PYRIMIDINE-BASED COMPOUNDS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2008-06-19 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 (4 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-20090286817-A1 Tryptophan hydroxylase inhibitors; anticarcinogenic agents; gastrointestinal, cardiovascular, and respiratory system disorders; (S)-2-amino-3-[4-(2-amino-6-{R-1-[4-chloro-2-(3-methyl-pyrazol-1-yl)-phenyl]-2,2,2-trifluoro-ethoxy}-pyrimidin-4-yl)-phenyl]-propionic acid ethyl ester TPH1, TPH2, PAH NPBWR1 1948/4885ERN1 2045/4885LPL 606/4885
US-20080153852-A1 Tryptophan hydroxylase inhibitors; anticarcinogenic agents; gastrointestinal, cardiovascular, and respiratory system disorders TPH1, TPH2, MAOA NPBWR1 1837/4885ERN1 4203/4885LPL 424/4885
US-20130137635-A1 TRYPTOPHAN HYDROXYLASE INHIBITORS FOR THE TREATMENT OF METASTATIC BONE DISEASE TPH1, TPH2, IDO1 NPBWR1 1335/4885ERN1 4554/4885LPL 3814/4885
US-20100311764-A1 Methods of using 4-Phenyl-6-(2,2,2-trifluoro-1-phenylethoxy)pyrimidine-Based Compounds TPMT, PYGL, DPYD NPBWR1 3742/4885ERN1 2810/4885LPL 781/4885

“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.