SCHEMBL666096

SCHEMBL666096

CCOC(=O)C(O)C(O)C(=O)OCC.[Ti]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
LMNA P02545 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ALOX15 P16050 1/20 0.46
MGAM O43451 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
SOAT1 P35610 1/20 0.46
HTT P42858 1/20 0.44
TRPA1 O75762 1/20 0.42
PIN1 Q13526 1/20 0.38
HCAR2 Q8TDS4 1/20 0.37
METAP2 P50579 3/20 0.37
METAP1 P53582 3/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
KMT2A Q03164 1/20 0.36
CAD P27708 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL112148 0.97 ALDH1A1 (0.53) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL28012631 0.97 ALDH1A1 (0.53) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL18213891 0.97 ALDH1A1 (0.53) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL112149 0.97 ALDH1A1 (0.53) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL805601 0.97 ALDH1A1 (0.53) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL8645598 0.97 ALDH1A1 (0.53) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL14763884 0.97 ALDH1A1 (0.53) ALDH1A1LMNAHSD17B10ALOX15MGAM
Isopropyl Alcohol SCHEMBL27634778 0.95 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL31633373 0.94 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10ALOX15MGAM
Bicarbonate SCHEMBL28431654 0.92 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10ALOX15MGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915449-B2 Contacting the corresponding sulfur compound with complex, bas and oxidizer; oxidation; isolation CEPHALON FRANCE (FR) 2011-03-29 US claimed
US-7812193-B2 Process for enantioselective synthesis of single enantiomers of modafinil by asymmetric oxidation CEPHALON FRANCE (FR) 2010-10-12 US claimed
US-20080214868-A1 PROCESS FOR ENANTIOSELECTIVE SYNTHESIS OF SINGLE ENANTIOMERS OF MODAFINIL BY ASYMMETRIC OXIDATION CEPHALON FRANCE (FR) 2008-09-04 US claimed
US-20080171896-A1 Process for Enantioselective Synthesis of Single Enantiomers of Modafinil by Asymmetric Oxidation CEPHALON FRANCE (FR) 2008-07-17 US claimed
US-7317126-B2 Process for enantioselective synthesis of single enantiomers of modafinil by asymmetric oxidation CEPHALON FRANCE (FR) 2008-01-08 US claimed
US-8889873-B2 Process for the preparation of enantiomerically enriched proton pump inhibitors LEK PHARMACEUTICALS D.D. (SI) 2014-11-18 US disclosed
US-8759583-B2 Process for enantioselective synthesis of single enantiomers of modafinil by asymmetric oxidation TEVA SANTE (FR) 2014-06-24 US disclosed
US-20130066111-A1 Process for Enantioselective Synthesis of Single Enantiomers of Modafinil by Asymmetric Oxidation CEPHALON FRANCE (FR) 2013-03-14 US disclosed
US-8318979-B2 Process for enantioselective synthesis of single enantiomers of modafinil by asymmetric oxidation CEPHALON FRANCE (FR) 2012-11-27 US disclosed
EP-1863760-B1 PROCESS FOR ENANTIOSELECTIVE SYNTHESIS OF SINGLE ENANTIOMERS OF THIO-SUBSTITUTED ARYLMETHANESULFINYL DERIVATIVES BY ASYMMETRIC OXIDATION CEPHALON FRANCE (FR) 2012-10-03 EP disclosed
CN-101142176-B Process for enantioselective synthesis of single enantiomers of thio-substituted arylmethanesulfinyl derivatives by asymmetric oxidation CEPHALON FRANCE 2012-06-06 CN disclosed
US-8183294-B2 Process for enantioselective synthesis of single enantiomers of thio-substituted arylmethanesulfinyl derivatives by asymmetric oxidation Cephelon France (FR) 2012-05-22 US disclosed
WO-2006097814-A1 PROCESS FOR ENANTIOSELECTIVE SYNTHESIS OF SINGLE ENANTIOMERS OF THIO-SUBSTITUTED ARYLMETHANESULFINYL DERIVATIVES BY ASYMMETRIC OXIDATION CEPHALON FRANCE (FR) 2006-09-21 WO disclosed
EP-1702915-A1 Process for enantioselective synthesis of single enantiomers of thio-substituted arylmethanesulfinyl derivatives by asymmetric oxidation CEPHALON FRANCE (FR) 2006-09-20 EP disclosed
US-20060205706-A1 Process for enantioselective synthesis of single enantiomers of thio-substituted arylmethanesulfinyl derivatives by asymmetric oxidation CEPHALON FRANCE (FR) 2006-09-14 US disclosed
EP-1663963-A1 PROCESS FOR ENANTIOSELECTIVE SYNTHESIS OF SINGLE ENANTIOMERS OF MODAFINIL BY ASYMMETRIC OXIDATION CEPHALON FRANCE (FR) 2006-06-07 EP disclosed
US-20050222257-A1 Process for enantioselective synthesis of single enantiomers of modafinil by asymmetric oxidation CEPHALON, INC. (US) 2005-10-06 US disclosed
US-20050080256-A1 Process for enantioselective synthesis of single enantiomers of modafinil by asymmetric oxidation TEVA SANTE (FR) 2005-04-14 US disclosed
WO-2005028428-A1 PROCESS FOR ENANTIOSELECTIVE SYNTHESIS OF SINGLE ENANTIOMERS OF MODAFINIL BY ASYMMETRIC OXIDATION CEPHALON FRANCE (FR) 2005-03-31 WO disclosed
EP-1516869-A1 Process for enantioselective synthesis of single enantiomers of modafinil by asymmetric oxidation CEPHALON FRANCE (FR) 2005-03-23 EP 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-20080171896-A1 Process for Enantioselective Synthesis of Single Enantiomers of Modafinil by Asymmetric Oxidation MAOA, CYP2F1, MAOB ALDH1A1 282/4885LMNA 3123/4885HSD17B10 1221/4885
US-20080214868-A1 PROCESS FOR ENANTIOSELECTIVE SYNTHESIS OF SINGLE ENANTIOMERS OF MODAFINIL BY ASYMMETRIC OXIDATION CYP2F1, MAOA, MAOB ALDH1A1 293/4885LMNA 3121/4885HSD17B10 1181/4885
US-20130066111-A1 Process for Enantioselective Synthesis of Single Enantiomers of Modafinil by Asymmetric Oxidation CYP2F1, SULT1A1, SULT2A1 ALDH1A1 186/4885LMNA 3126/4885HSD17B10 1327/4885
US-20050222257-A1 Process for enantioselective synthesis of single enantiomers of modafinil by asymmetric oxidation CYP2F1, SULT1A1, SULT2A1 ALDH1A1 186/4885LMNA 3126/4885HSD17B10 1327/4885
US-20060205706-A1 Process for enantioselective synthesis of single enantiomers of thio-substituted arylmethanesulfinyl derivatives by asymmetric oxidation SULT1A1, TST, SULT2A1 ALDH1A1 59/4885LMNA 4656/4885HSD17B10 283/4885
US-20050080256-A1 Process for enantioselective synthesis of single enantiomers of modafinil by asymmetric oxidation MAOA, CYP2F1, MAOB ALDH1A1 282/4885LMNA 3123/4885HSD17B10 1221/4885

“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.