SCHEMBL539840

SCHEMBL539840

COC(=O)C(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.50
KLK5 Q9Y337 1/20 0.49
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
CTSS P25774 6/20 0.45
CTSK P43235 5/20 0.45
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
ACE P12821 1/20 0.43
F2 P00734 1/20 0.43
F11 P03951 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
EPHX2 P34913 1/20 0.42
ESR2 Q92731 1/20 0.41
ATM Q13315 1/20 0.41
DGAT1 O75907 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
SCHEMBL30400176 1.00 AAK1 (0.50) AAK1KLK5ITGB3ITGA2BCTSS
SCHEMBL539839 1.00 AAK1 (0.50) AAK1KLK5ITGB3ITGA2BCTSS
SCHEMBL15615749 0.97 CTSS (0.49) AAK1KLK5ITGB3ITGA2BCTSS
SCHEMBL16934587 0.97 CTSS (0.49) AAK1KLK5ITGB3ITGA2BCTSS
SCHEMBL17459580 0.94 AAK1 (0.51) AAK1KLK5ITGB3ITGA2BCTSS
SCHEMBL21732913 0.94 AAK1 (0.51) AAK1KLK5ITGB3ITGA2BCTSS
SCHEMBL17459578 0.94 AAK1 (0.51) AAK1KLK5ITGB3ITGA2BCTSS
SCHEMBL23419294 0.91 AAK1 (0.48) AAK1KLK5ITGB3ITGA2BCTSS
SCHEMBL7230674 0.91 AAK1 (0.48) AAK1KLK5ITGB3ITGA2BCTSS
SCHEMBL16469777 0.90 AAK1 (0.50) AAK1KLK5ITGB3ITGA2BCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3318260-B1 METHODS OF PREPARING 4-PHENYL-6-(2,2,2- TRIFLUORO-1-PHENYLETHOXY) PYRIMIDINE-BASED COMPOUNDS LEXICON PHARMACEUTICALS INC (US) 2020-09-23 EP disclosed
EP-3318260-B1 METHODS OF PREPARING 4-PHENYL-6-(2,2,2- TRIFLUORO-1-PHENYLETHOXY) PYRIMIDINE-BASED COMPOUNDS LEXICON PHARMACEUTICALS INC (US) 2020-09-23 EP disclosed
EP-3318260-A1 METHODS OF PREPARING 4-PHENYL-6-(2,2,2- TRIFLUORO-1-PHENYLETHOXY) PYRIMIDINE-BASED COMPOUNDS Lexicon Pharmaceuticals, Inc. (US) 2018-05-09 EP disclosed
EP-3318260-A1 METHODS OF PREPARING 4-PHENYL-6-(2,2,2- TRIFLUORO-1-PHENYLETHOXY) PYRIMIDINE-BASED COMPOUNDS Lexicon Pharmaceuticals, Inc. (US) 2018-05-09 EP disclosed
EP-2187887-B1 METHODS OF PREPARING 4-PHENYL-6-(2,2,2-TRIFLUORO-1-PHENYLETHOXY)PYRIMIDINE-BASED COMPOUNDS LEXICON PHARMACEUTICALS INC (US) 2017-11-15 EP disclosed
EP-2187887-B1 METHODS OF PREPARING 4-PHENYL-6-(2,2,2-TRIFLUORO-1-PHENYLETHOXY)PYRIMIDINE-BASED COMPOUNDS LEXICON PHARMACEUTICALS INC (US) 2017-11-15 EP disclosed
US-9175003-B2 Substituted azoanthracene derivatives and intermediates for preparation thereof VTV THERAPEUTICS LLC (US) 2015-11-03 US disclosed
EP-2413693-B1 SUBSTITUTED AZOANTHRACENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF VTV THERAPEUTICS LLC (US) 2015-09-09 EP disclosed
US-20150148539-A1 Substituted Azoanthracene Derivatives and Intermediates for Preparation Thereof VTV THERAPEUTICS LLC 2015-05-28 US disclosed
US-8987295-B2 Substituted azoanthracene derivatives, pharmaceutical compositions, and methods of use thereof TRANSTECH PHARMA, LLC (US) 2015-03-24 US disclosed
EP-2413693-A1 SUBSTITUTED AZOANTHRACENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF TransTech Pharma, Inc (US) 2012-02-08 EP disclosed
US-20110301349-A1 METHODS OF PREPARING 4-PHENYL-6-(2,2,2-TRIFLUORO-1-PHENYLETHOXY)PYRIMIDINE-BASED COMPOUNDS TERSERA THERAPEUTICS LLC 2011-12-08 US disclosed
US-20110160198-A1 SUBSTITUTED AZOANTHRACENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF HIGH POINT PHARMACEUTICALS, LLC (US) 2011-06-30 US disclosed
WO-2011063072-A2 PROCESS FOR THE PREPARATION OF SUBSTITUTED PHENYLALANINES LEXICON PHARMACEUTICALS, INC. (US) 2011-05-26 WO disclosed
US-20110124865-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED PHENYLALANINES LEXICON PHARMACEUTICALS, INC. 2011-05-26 US disclosed
WO-2010114824-A1 SUBSTITUTED AZOANTHRACENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF TRANSTECH PHARMA INC (US) 2010-10-07 WO disclosed
EP-2203444-A1 SOLIDS FORMS OF ( S) -ETHYL 2-AMIN0-3- (4- (2 -AMINO- 6- ( (R) -1- (4-CHL0R0-2- O-METHYL-IH-PYRAZOL- 1-YL) PHENYL) -2, 2, 2-TRIFLUORETHOXY) -PYRIMIDIN-4-YL) PHENYL) PROPANOATE Lexicon Pharmaceuticals, Inc. (US) 2010-07-07 EP disclosed
WO-2009042733-A1 SOLIDS FORMS OF ( S) -ETHYL 2-AMIN0-3- (4- (2 -AMINO- 6- ( (R) -1- (4-CHL0R0-2- O-METHYL-IH-PYRAZOL- 1-YL) PHENYL) -2, 2, 2-TRIFLUORETHOXY) -PYRIMIDIN-4-YL) PHENYL) PROPANOATE LEXICON PHARMACEUTICALS, INC. (US) 2009-04-02 WO disclosed
US-20090088447-A1 SOLID FORMS OF (S)-ETHYL 2-AMINO-3-(4-(2-AMINO-6-((R)-1-(4-CHLORO-2-(3-METHYL-1H-PYRAZOL-1-YL)PHENYL)-2,2,2-TRIFLUOROETHOXY)-PYRIMIDIN-4-YL)PHENYL)PROPANOATE AND METHODS OF THEIR USE TERSERA THERAPEUTICS LLC 2009-04-02 US disclosed
US-20090062540-A1 METHODS OF PREPARING 4-PHENYL-6-(2,2,2-TRIFLUORO-1-PHENYLETHOXY)PYRIMIDINE-BASED COMPOUNDS LEXICON PHARMACEUTICALS, INC. 2009-03-05 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 (6 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-20110160198-A1 SUBSTITUTED AZOANTHRACENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF GLP1R, GIPR, GPR119 AAK1 603/4885KLK5 734/4885ITGB3 3799/4885
US-20150148539-A1 Substituted Azoanthracene Derivatives and Intermediates for Preparation Thereof GLP1R, GIPR, GPR119 AAK1 507/4885KLK5 1052/4885ITGB3 4259/4885
US-20090088447-A1 SOLID FORMS OF (S)-ETHYL 2-AMINO-3-(4-(2-AMINO-6-((R)-1-(4-CHLORO-2-(3-METHYL-1H-PYRAZOL-1-YL)PHENYL)-2,2,2-TRIFLUOROETHOXY)-PYRIMIDIN-4-YL)PHENYL)PROPANOATE AND METHODS OF THEIR USE CPS1, TUBA3C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 AAK1 1734/4885KLK5 3401/4885ITGB3 1777/4885
US-20110301349-A1 METHODS OF PREPARING 4-PHENYL-6-(2,2,2-TRIFLUORO-1-PHENYLETHOXY)PYRIMIDINE-BASED COMPOUNDS DPYD, TYMP, NUDT1 AAK1 3075/4885KLK5 2934/4885ITGB3 4046/4885
US-20110124865-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED PHENYLALANINES PAH, NPEPPS, DNPEP AAK1 1791/4885KLK5 1865/4885ITGB3 4652/4885
US-20090062540-A1 METHODS OF PREPARING 4-PHENYL-6-(2,2,2-TRIFLUORO-1-PHENYLETHOXY)PYRIMIDINE-BASED COMPOUNDS DPYD, TYMP, NUDT1 AAK1 3075/4885KLK5 2934/4885ITGB3 4046/4885

“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.