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SCHEMBL900143

SCHEMBL900143

O=C(O)C[S+]([O-])C(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 3/20 0.41
▸ CES1 P23141 3/20 0.41
▸ CYP2D6 P10635 1/20 0.40
▸ GABBR2 O75899 1/20 0.40
▸ GABBR1 Q9UBS5 1/20 0.40
▸ AKR1B1 P15121 1/20 0.40
▸ SRC P12931 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ EPHX1 P07099 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CNR2 P34972 1/20 0.38
▸ KEAP1 Q14145 1/20 0.38

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
SCHEMBL3912386 1.00 CES2 (0.41) CES2CES1CYP2D6GABBR2GABBR1
SCHEMBL4057742 1.00 CES2 (0.41) CES2CES1CYP2D6GABBR2GABBR1
SCHEMBL3159714 0.88 CFD (0.38) CES2CES1GABBR2GABBR1EPHX1
Phenethylamine SCHEMBL4778932 0.87 HTR2A (0.48) GABBR2GABBR1EPHX1MAPK1KEAP1
Phenethylamine SCHEMBL4774533 0.87 HTR2A (0.48) GABBR2GABBR1EPHX1MAPK1KEAP1
SCHEMBL27651702 0.86 CES2 (0.40) CES2CES1CYP2D6GABBR2GABBR1
Armodafinil SCHEMBL34489 0.85 CYP2D6 (0.44) CES2CES1CYP2D6GABBR2GABBR1
(S)-Modafinil SCHEMBL1403524 0.85 CYP2D6 (0.44) CES2CES1CYP2D6GABBR2GABBR1
Modafinil SCHEMBL3238686 0.85 CYP2D6 (0.44) CES2CES1CYP2D6GABBR2GABBR1
Modafinil SCHEMBL34488 0.85 CYP2D6 (0.44) CES2CES1CYP2D6GABBR2GABBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017064723-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF ARMODAFINIL NATCO PHARMA LTD (IN) 2017-04-20 — — WO claimed
CN-103058900-B Preparation method for R-benzhydryl thionyl acetic acid CHONGQING KANGLE PHARMACEUTICAL CO LTD 2014-11-26 — — CN claimed
CN-103058900-A Preparation method for R-benzhydryl thionyl acetic acid CHONGQING KANGLE PHARMACEUTICAL CO LTD 2013-04-24 — — CN claimed
US-8193386-B2 Crystalline form of (S)-1-phenylethylammonium (R)-diphenylmethanesulphinyl-acetate DIPHARMA FRANCIS S.R.L. (IT) 2012-06-05 — — US claimed
US-8048222-B2 Highly pure modafinil TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2011-11-01 — — US claimed
JP-4302977-B2 — — 2009-07-29 — — JP claimed
WO-2009090663-A1 NOVEL CRYSTALLINE POLYMORPH OF ARMODAFINIL AND AN IMPROVED PROCESS FOR PREPARATION THEREOF LUPIN LIMITED (IN) 2009-07-23 — — WO claimed
US-20090156855-A1 CRYSTALLINE FORM OF (S)-1-PHENYLETHYLAMMONIUM (R)-DIPHENYLMETHANESULPHINYL-ACETATE DIPHARMA FRANCIS S.R.L. (IT) 2009-06-18 — — US claimed
WO-2009024863-A2 PROCESS FOR THE PREPARATION OF MODAFINIL ENANTIOMERS ACTAVIS GROUP PTC EHF (IS) 2009-02-26 — — WO claimed
EP-1466897-B1 Process for the preparation of organic compounds containing a sulfinyl or sulfonyl group in the presence of epsilon-phthalimidoperhexanoic acid DIPHARMA FRANCIS SRL (IT) 2008-12-17 — — EP claimed
EP-1503983-A1 A PROCESS FOR THE PREPARATION OF MODAFINIL Dipharma S.p.A. (IT) 2005-02-09 — — EP claimed
EP-1466897-A1 Process for the preparation of organic compounds containing a sulfinyl or sulfonyl group in the presence of epsilon-phthalimidoperhexanoic acid Dipharma S.p.A. (IT) 2004-10-13 — — EP claimed
US-20040192929-A1 Process for the preparation of organic compounds containing a sulfinyl or sulfonyl group DINAMITE DIPHARMA S.P.A. ABBREVIATED DIPHARMA S.P.A. 2004-09-30 — — US claimed
JP-2004509080-A — — 2004-03-25 — — JP claimed
WO-2003095423-A1 A PROCESS FOR THE PREPARATION OF MODAFINIL DIPHARMA S.P.A. (IT) 2003-11-20 — — WO claimed
EP-1309547-A1 CRYSTALLINE AND PURE MODAFINIL, AND PROCESS OF PREPARING THE SAME TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2003-05-14 — — EP claimed
US-20020043207-A1 Oxidation method for preparing highly pure modafinil, crystalline forms of modafinil, and methods of preparing the crystalline forms TEVA PHARMACEUTICALS USA, INC. 2002-04-18 — — US claimed
WO-2002010125-A1 CRYSTALLINE AND PURE MODAFINIL, AND PROCESS OF PREPARING THE SAME TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2002-02-07 — — WO claimed
EP-0233106-B1 (-)-BENZHYDRYLSULFINYLACETAMIDE, PROCESS FOR ITS PREPARATION AND ITS USE IN THERAPY LABORATOIRE L. LAFON (FR) 1989-05-31 — — EP claimed
EP-0233106-A1 (-)-Benzhydrylsulfinylacetamide, process for its preparation and its use in therapy LABORATOIRE L. LAFON (FR) 1987-08-19 — — EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20040192929-A1 Process for the preparation of organic compounds containing a sulfinyl or sulfonyl group STS, MPST, SULT2A1 CES2 1307/4885CES1 783/4885CYP2D6 155/4885
US-20090156855-A1 CRYSTALLINE FORM OF (S)-1-PHENYLETHYLAMMONIUM (R)-DIPHENYLMETHANESULPHINYL-ACETATE GRHPR, BPHL, CPS1 CES2 4370/4885CES1 1043/4885CYP2D6 1884/4885

“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.