SCHEMBL4055535

SCHEMBL4055535

CC(=O)OSC(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
CYP3A4 P08684 2/20 0.49
ELANE P08246 1/20 0.44
SLC6A3 Q01959 1/20 0.43
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 2/20 0.40
CYP2D6 P10635 1/20 0.40
SRC P12931 1/20 0.40
PTGS1 P23219 3/20 0.40
PTGS2 P35354 3/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 2/20 0.40
CXCR1 P25024 2/20 0.40
CXCR2 P25025 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 2/20 0.40
RECQL P46063 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL30295822 0.82 CYP3A4 (0.43) ALDH1A1CYP3A4KMT2AHPGDCYP2D6
SCHEMBL10526585 0.79 CYP3A4 (0.41) ALDH1A1CYP3A4KMT2AL3MBTL1HPGD
SCHEMBL10526188 0.77 ALDH1A1 (0.42) ALDH1A1CYP3A4ELANEKMT2AL3MBTL1
SCHEMBL10526030 0.77 ALDH1A1 (0.39) ALDH1A1CYP3A4ELANEKMT2AL3MBTL1
SCHEMBL3056114 0.72 SLC6A3 (0.47) ALDH1A1CYP3A4SLC6A3KMT2AHPGD
SCHEMBL2874877 0.71 TSHR (0.43) CYP3A4SLC6A3TDP1L3MBTL1CYP2D6
SCHEMBL25392851 0.71 ELANE (0.56) ALDH1A1CYP3A4ELANESLC6A3KMT2A
SCHEMBL6246137 0.69 PTGS2 (0.50) ALDH1A1CYP3A4ELANETDP1HPGD
SCHEMBL20610222 0.69 ALDH1A1 (0.50) ALDH1A1CYP3A4KMT2AHPGDCYP2D6
SCHEMBL12199933 0.68 CYP3A4 (0.58) ALDH1A1CYP3A4KMT2AHPGDCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101440053-A Preparation of benzhydryl thioacetamide CHONGQING KANGLE PHARMACEUTICA (CN) 2009-05-27 CN claimed
US-12344866-B2 Biocatalysts and methods for the synthesis of armodafinil CODEXIS, INC. (US) 2025-07-01 US disclosed
US-20220372452-A1 BIOCATALYSTS AND METHODS FOR THE SYNTHESIS OF ARMODAFINIL INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2022-11-24 US disclosed
US-11384343-B2 Biocatalysts and methods for the synthesis of armodafinil CODEXIS, INC. (US) 2022-07-12 US disclosed
US-20210198638-A1 BIOCATALYSTS AND METHODS FOR THE SYNTHESIS OF ARMODAFINIL INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2021-07-01 US disclosed
US-10961517-B2 Biocatalysts and methods for the synthesis of armodafinil CODEXIS, INC. (US) 2021-03-30 US disclosed
US-20210002618-A1 BIOCATALYSTS AND METHODS FOR THE SYNTHESIS OF ARMODAFINIL INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2021-01-07 US disclosed
US-10781429-B2 Biocatalysts and methods for the synthesis of armodafinil CODEXIS, INC. (US) 2020-09-22 US disclosed
US-20200109376-A1 BIOCATALYSTS AND METHODS FOR THE SYNTHESIS OF ARMODAFINIL INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2020-04-09 US disclosed
US-10557126-B2 Polynucleotides encoding cyclohexanone monooxygenases CODEXIS, INC. (US) 2020-02-11 US disclosed
US-20130260426-A1 BIOCATALYSTS AND METHODS FOR THE SYNTHESIS OF ARMODAFINIL INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2013-10-03 US disclosed
CN-101440053-B Preparation of benzhydryl thioacetamide CHONGQING KANGLE PHARMACEUTICAL CO LTD 2013-04-03 CN disclosed
WO-2012078800-A2 BIOCATALYSTS AND METHODS FOR THE SYNTHESIS OF ARMODAFINIL CODEXIS, INC. (US) 2012-06-14 WO disclosed
CN-100516035-C Method for preparing methyl 2-diphenylmethylsulfinylacetate SEFREN FRANCE CORP (FR) 2009-07-22 CN disclosed
US-7553646-B2 Microbial sulfoxidation and amidation of benzhdrylsulfanyl carboxylic acids and uses thereof UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2009-06-30 US disclosed
CN-101440053-A Preparation of benzhydryl thioacetamide CHONGQING KANGLE PHARMACEUTICA (CN) 2009-05-27 CN disclosed
CN-101326159-A Process for preparing modafinil and analogs thereof MALLINCKRODT INC (US) 2008-12-17 CN disclosed
WO-2007027328-A2 MICROBIAL SULFOXIDATION AND AMIDATION OF BENZHDRYLSULFANYL CARBOXYLIC ACIDS AND USES THEREOF UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2007-03-08 WO disclosed
US-20070026507-A1 MICROBIAL SULFOXIDATION AND AMIDATION OF BENZHDRYLSULFANYL CARBOXYLIC ACIDS AND USES THEREOF UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2007-02-01 US disclosed
CN-1735591-A Method for preparing methyl 2-diphenylmethylsulfinylacetate ORGANISATION DE SYNTHESE MONDI (FR) 2006-02-15 CN disclosed