SCHEMBL5022083

SCHEMBL5022083

COC(=O)CSC(c1ccccc1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.65
ALDH1A1 P00352 3/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 2/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
POLB P06746 1/20 0.45
SLC6A4 P31645 1/20 0.45
TSHR P16473 1/20 0.44

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
SCHEMBL31290437 0.84 ALDH1A1 (0.51) SLC6A3ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL5273905 0.83 SLC6A3 (0.57) SLC6A3ALDH1A1KMT2ARXFP1
SCHEMBL11641195 0.83 SLC6A3 (0.53) SLC6A3ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL1121660 0.79 SLC6A3 (0.66) SLC6A3CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL15265480 0.79 ALDH1A1 (0.47) SLC6A3ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL2577670 0.79 SLC6A3 (0.65) SLC6A3ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL13982744 0.79 SLC6A3 (1.00) SLC6A3SLC6A4
Hydrochloric Acid SCHEMBL2577794 0.77 SLC6A3 (0.62) SLC6A3ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL22446781 0.77 SLC6A3 (0.50) SLC6A3
SCHEMBL32689546 0.77 PDPK1 (0.59) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10710061-B2 Ion pair catalysis of tungstate and molybdate NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2020-07-14 US disclosed
US-10710061-B2 Ion pair catalysis of tungstate and molybdate NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2020-07-14 US disclosed
US-20190105646-A1 ION PAIR CATALYSIS OF TUNGSTATE AND MOLYBDATE NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2019-04-11 US disclosed
US-20190105646-A1 ION PAIR CATALYSIS OF TUNGSTATE AND MOLYBDATE NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2019-04-11 US disclosed
US-20180195053-A1 BIOCATALYSTS AND METHODS FOR THE SYNTHESIS OF ARMODAFINIL INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2018-07-12 US disclosed
US-20180037872-A1 BIOCATALYSTS AND METHODS FOR THE SYNTHESIS OF ARMODAFINIL INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2018-02-08 US disclosed
WO-2017164813-A1 ION PAIR CATALYSIS OF TUNGSTATE AND MOLYBDATE NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2017-09-28 WO disclosed
WO-2017164813-A1 ION PAIR CATALYSIS OF TUNGSTATE AND MOLYBDATE NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2017-09-28 WO 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-8759583-B2 Process for enantioselective synthesis of single enantiomers of modafinil by asymmetric oxidation TEVA SANTE (FR) 2014-06-24 US disclosed
US-7317126-B2 Process for enantioselective synthesis of single enantiomers of modafinil by asymmetric oxidation CEPHALON FRANCE (FR) 2008-01-08 US disclosed
EP-1663963-B1 PROCESS FOR ENANTIOSELECTIVE SYNTHESIS OF SINGLE ENANTIOMERS OF MODAFINIL BY ASYMMETRIC OXIDATION CEPHALON FRANCE (FR) 2007-06-27 EP disclosed
US-7235691-B2 Crystalline forms of modafinil TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-06-26 US disclosed
US-7211684-B2 Method for preparing methyl 2-diphenylmethylsulfinylacetate CEPHALON FRANCE (FR) 2007-05-01 US disclosed
US-7211684-B2 Method for preparing methyl 2-diphenylmethylsulfinylacetate CEPHALON FRANCE (FR) 2007-05-01 US disclosed
US-7186860-B2 Process for the preparation of 2-[(diphenylmethyl) thio] acetamide ALEMBIC LIMITED (IN) 2007-03-06 US disclosed
EP-1309547-B1 CRYSTALLINE AND PURE MODAFINIL, AND PROCESS OF PREPARING THE SAME TEVA PHARMA (IL) 2007-01-17 EP disclosed
US-20060128812-A1 Process for the preparation of 2-[(diphenylmethyl) thio] acetamide ALEMBIC LIMITED (IN) 2006-06-15 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
WO-2004075827-A2 PROCESS FOR THE PREPARATION OF 2-[(DIPHENYLMETHYL) THIO] ACETAMIDE ALEMBIC LIMITED (IN) 2004-09-10 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 (3 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-10710061-B2 Ion pair catalysis of tungstate and molybdate PRDX3, PRDX4, PRDX2 SLC6A3 123/4885ALDH1A1 1230/4885CYP1A2 1800/4885
US-20060128812-A1 Process for the preparation of 2-[(diphenylmethyl) thio] acetamide ADH1A, TAAR1, TAAR5 SLC6A3 149/4885ALDH1A1 121/4885CYP1A2 25/4885
US-20190105646-A1 ION PAIR CATALYSIS OF TUNGSTATE AND MOLYBDATE PRDX3, PRDX4, PRDX6 SLC6A3 103/4885ALDH1A1 1492/4885CYP1A2 1967/4885

“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.