SCHEMBL1345183

SCHEMBL1345183

O=C(OO)c1ccc(F)c(F)c1F

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CES2 O00748 8/20 0.67
CES1 P23141 8/20 0.67
BCHE P06276 1/20 0.41
DGAT1 O75907 1/20 0.36
MAP2K2 P36507 2/20 0.36
MAP2K1 Q02750 2/20 0.36
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.33
EPHX2 P34913 2/20 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
SCHEMBL30954397 1.00 CES2 (0.67) CES2CES1BCHEDGAT1MAP2K2
SCHEMBL19731208 0.82 CES2 (0.61) CES2CES1BCHEDGAT1MAP2K2
SCHEMBL382348 0.82 CES2 (0.61) CES2CES1ALDH1A1KMT2A
SCHEMBL1003016 0.81 CES2 (0.67) CES2CES1BCHEDGAT1MAP2K2
SCHEMBL1760850 0.80 CES2 (0.73) CES2CES1BCHEDGAT1MAP2K2
SCHEMBL7096567 0.79 CES2 (0.57) CES2CES1BCHEALDH1A1KMT2A
SCHEMBL241797 0.78 CES2 (0.70) CES2CES1BCHEMAP2K2MAP2K1
SCHEMBL7744985 0.78 CES2 (0.70) CES2CES1BCHEDGAT1MAP2K2
SCHEMBL4444760 0.78 CES2 (0.70) CES2CES1BCHEDGAT1MAP2K2
SCHEMBL16319966 0.77 CES2 (0.55) CES2CES1BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100041882-A1 METHODS FOR SYNTHESIS OF ACYLOXYALKYL COMPOUNDS XENOPORT, INC. (US) 2010-02-18 US claimed
US-7662987-B2 Oxidation of 1-acyl alkyl compound under anhydrous condition XENOPORT, INC. (US) 2010-02-16 US claimed
US-20050070715-A1 Methods for synthesis of acyloxyalkyl compounds ARBOR PHARMACEUTICALS, LLC 2005-03-31 US claimed
WO-2005010011-A2 METHODS OF SYNTHESIS OF ACYLOXYALKYL COMPOUNDS XENOPORT, INC. (US) 2005-02-03 WO claimed
EP-1501784-B1 INTEGRATED CHEMICAL PROCESSES FOR INDUSTRIAL UTILIZATION OF SEED OILS DOW GLOBAL TECHNOLOGIES LLC (US) 2019-03-13 EP disclosed
US-9353057-B2 Synthesis of acyloxyalkyl carbamate prodrugs and intermediates thereof XENOPORT, INC. (US) 2016-05-31 US disclosed
EP-2250143-B1 METHOD FOR THE ENZYMATIC KINETIC RESOLUTION OF ACYLOXYALKYL THIOCARBONATES USED FOR THE SYNTHESIS OF ACYLOXYALKYL CARBAMATES XENOPORT INC (US) 2016-04-20 EP disclosed
US-20130131355-A1 SYNTHESIS OF ACYLOXYALKYL CARBAMATE PRODRUGS AND INTERMEDIATES THEREOF XENOPORT, INC. (US) 2013-05-23 US disclosed
EP-1716115-B1 SYNTHESIS OF ACYLOXYALKYL CARBAMATE PRODRUGS AND INTERMEDIATES THEREOF XENOPORT INC (US) 2013-02-27 EP disclosed
US-8378137-B2 Synthesis of acyloxyalkyl carbamate prodrugs and intermediates thereof XENOPORT, INC. (US) 2013-02-19 US disclosed
US-20120010425-A1 SYNTHESIS OF ACYLOXYALKYL CARBAMATE PRODRUGS AND INTERMEDIATES THEREOF XENOPORT, INC. (US) 2012-01-12 US disclosed
US-8062870-B2 Enantiomerically resolving acyloxyalkyl thiocarbonates used in synthesizing acyloxyalkyl carbamate prodrugs XENOPORT, INC. (US) 2011-11-22 US disclosed
US-7511158-B2 Synthesis of acyloxyalkyl carbamate prodrugs and intermediates thereof XENOPORT, INC. (US) 2009-03-31 US disclosed
US-20070244331-A1 Synthesis of Acyloxyalkyl Carbamate Prodrugs and Intermediates Thereof XENOPORT, INC. 2007-10-18 US disclosed
US-7227028-B2 Synthesis of acyloxyalkyl carbamate prodrugs and intermediates thereof XENOPORT, INC. (US) 2007-06-05 US disclosed
US-20070037988-A9 Formation of a thiocarbamate from a haloformic compound, dehalo-esterification, coupling an N-hydroxysuccinimide or secondary amide-containing drug; prodrugs of gabapentin and baclofen; improved bioavailability XENOPORT, INC. 2007-02-15 US disclosed
US-20050222431-A1 Synthesis of acyloxyalkyl carbamate prodrugs and intermediates thereof XENOPORT, INC. 2005-10-06 US disclosed
US-20050154221-A1 Integrate chemical processes for industrial utilization of seed oils UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION 2005-07-14 US disclosed
EP-1501784-A1 INTERGRATED CHEMICAL PROCESSES FOR INDUSTRIAL UTILIZATION OF SEED OILS DOW GLOBAL TECHNOLOGIES INC. (US) 2005-02-02 EP disclosed
WO-2003093215-A1 INTERGRATED CHEMICAL PROCESSES FOR INDUSTRIAL UTILIZATION OF SEED OILS DOW GLOBAL TECHNOLOGIES INC. (US) 2003-11-13 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-20050070715-A1 Methods for synthesis of acyloxyalkyl compounds AADAC, CYP2D6, CYP3A7 CES2 14/4885CES1 56/4885BCHE 655/4885
US-20050222431-A1 Synthesis of acyloxyalkyl carbamate prodrugs and intermediates thereof CPS1, ACMSD, NAAA CES2 17/4885CES1 33/4885BCHE 408/4885
US-20050154221-A1 Integrate chemical processes for industrial utilization of seed oils ALOX12, SQLE, ALOX15 CES2 754/4885CES1 532/4885BCHE 545/4885
US-20130131355-A1 SYNTHESIS OF ACYLOXYALKYL CARBAMATE PRODRUGS AND INTERMEDIATES THEREOF CPS1, ACMSD, NAAA CES2 17/4885CES1 33/4885BCHE 408/4885
US-20070244331-A1 Synthesis of Acyloxyalkyl Carbamate Prodrugs and Intermediates Thereof CPS1, ACMSD, NAAA CES2 17/4885CES1 33/4885BCHE 408/4885
US-20100041882-A1 METHODS FOR SYNTHESIS OF ACYLOXYALKYL COMPOUNDS AADAC, CYP2D6, CYP3A7 CES2 14/4885CES1 56/4885BCHE 655/4885
US-20120010425-A1 SYNTHESIS OF ACYLOXYALKYL CARBAMATE PRODRUGS AND INTERMEDIATES THEREOF CPS1, ACMSD, NAAA CES2 17/4885CES1 33/4885BCHE 408/4885
US-20070037988-A9 Formation of a thiocarbamate from a haloformic compound, dehalo-esterification, coupling an N-hydroxysuccinimide or secondary amide-containing drug; prodrugs of gabapentin and baclofen; improved bioavailability SLC6A13, SLC6A11, SLC6A1 CES2 85/4885CES1 196/4885BCHE 225/4885

“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.