SCHEMBL1345425

SCHEMBL1345425

[O]OOS(=O)(=O)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA13 Q8N1Q1 1/20 0.35

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
SCHEMBL2085247 0.83 CA2 (0.41) CA1CA2CA7CA13
SCHEMBL2721777 0.78 CA1 (0.37) CA1CA2CA7CA13
SCHEMBL9766897 0.73
SCHEMBL4245730 0.73 F2 (0.33) CA1CA2CA7CA13
SCHEMBL5536943 0.73 CA1 (0.33) CA1CA2CA7CA13
SCHEMBL9936351 0.71 USP2 (0.33) CA1CA2CA7CA13
SCHEMBL28396077 0.71 CA2 (0.56) CA1CA2CA7CA13
SCHEMBL758883 0.69 CA2 (0.41) CA1CA2CA7CA13
SCHEMBL160 0.69 CA2 (0.41) CA1CA2CA7CA13
SCHEMBL758884 0.69 CA2 (0.41) CA1CA2CA7CA13

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-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
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
EP-2371815-A1 Sythesis of acyloxyalkyl carbamate prodrugs and intermediates thereof XenoPort, Inc. (US) 2011-10-05 EP disclosed
US-20090192325-A1 ENANTIOMERICALLY RESOLVING ACYLOXYALKYL THIOCARBONATES USED IN SYNTHESIZING ACYLOXYALKYL CARBAMATE PRODRUGS XENOPORT, INC. (US) 2009-07-30 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
EP-1716115-A2 SYNTHESIS OF ACYLOXYALKYL CARBAMATE PRODRUGS AND INTERMEDIATES THEREOF Xenoport, Inc. (US) 2006-11-02 EP disclosed
US-20050222431-A1 Synthesis of acyloxyalkyl carbamate prodrugs and intermediates thereof XENOPORT, INC. 2005-10-06 US disclosed
WO-2005066122-A2 SYNTHESIS OF ACYLOXYALKYL CARBAMATE PRODRUGS AND INTERMEDIATES THEREOF XENOPORT, INC. (US) 2005-07-21 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 CA1 854/4885CA2 1296/4885CA7 515/4885
US-20050222431-A1 Synthesis of acyloxyalkyl carbamate prodrugs and intermediates thereof CPS1, ACMSD, NAAA CA1 23/4885CA2 40/4885CA7 7/4885
US-20090192325-A1 ENANTIOMERICALLY RESOLVING ACYLOXYALKYL THIOCARBONATES USED IN SYNTHESIZING ACYLOXYALKYL CARBAMATE PRODRUGS AADAC, NAAA, APEH CA1 777/4885CA2 488/4885CA7 239/4885
US-20130131355-A1 SYNTHESIS OF ACYLOXYALKYL CARBAMATE PRODRUGS AND INTERMEDIATES THEREOF CPS1, ACMSD, NAAA CA1 23/4885CA2 40/4885CA7 7/4885
US-20070244331-A1 Synthesis of Acyloxyalkyl Carbamate Prodrugs and Intermediates Thereof CPS1, ACMSD, NAAA CA1 23/4885CA2 40/4885CA7 7/4885
US-20100041882-A1 METHODS FOR SYNTHESIS OF ACYLOXYALKYL COMPOUNDS AADAC, CYP2D6, CYP3A7 CA1 854/4885CA2 1296/4885CA7 515/4885
US-20120010425-A1 SYNTHESIS OF ACYLOXYALKYL CARBAMATE PRODRUGS AND INTERMEDIATES THEREOF CPS1, ACMSD, NAAA CA1 23/4885CA2 40/4885CA7 7/4885
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 CA1 81/4885CA2 71/4885CA7 170/4885

“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.