SCHEMBL906028

SCHEMBL906028

CCOc1cc(NCCS(C)(=O)=O)ccc1OC

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 3/20 0.45
MAPT P10636 3/20 0.45
PDE4B Q07343 10/20 0.45
PDE4A P27815 7/20 0.45
PDE4C Q08493 7/20 0.45
PDE4D Q08499 7/20 0.45
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
APAF1 O14727 1/20 0.42
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
PTPRF P10586 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPN6 P29350 1/20 0.41
PTPN11 Q06124 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL18301582 0.88 PDE4B (0.48) PTPN1ALDH1A1KDM4EMAPTPDE4B
SCHEMBL6876365 0.85 ALDH1A1 (0.43) PTPN1ALDH1A1KDM4EMAPTPDE4B
SCHEMBL5673765 0.85 PDE4B (0.47) PTPN1ALDH1A1KDM4EMAPTPDE4B
SCHEMBL5551730 0.83 PDE4B (0.50) PDE4BPDE4APDE4CPDE4D
Levacetylleucine SCHEMBL15212381 0.82 ATM (0.44) PTPN1ALDH1A1PDE4BPDE4APDE4C
SCHEMBL1223575 0.79 KDM4E (0.53) ALDH1A1KDM4EMAPTPDE4BPDE4A
SCHEMBL3967066 0.78 POLB (0.55) PDE4BPDE4APDE4CPDE4D
Hydrochloric Acid SCHEMBL9735815 0.77 SMN1; SMN2 (0.49) ALDH1A1KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL10325870 0.75 PTGS2 (0.54) KDM4EPDE4BSMN1; SMN2HTT
SCHEMBL1971525 0.75 PTPN1 (0.43) PTPN1ALDH1A1KDM4EMAPTPDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117286121-A Transaminase, and preparation method and application thereof 江苏海洋大学 2023-12-26 CN claimed
EP-3280701-B1 A METHOD OF CHIRAL RESOLUTION OF THE KEY INTERMEDIATE OF THE SYNTHESIS OF APREMILAST AND ITS USE FOR THE PREPARATION OF PURE APREMILAST ZENTIVA KS (CZ) 2019-10-16 EP claimed
EP-3307711-A1 PROCESS FOR PREPARATION OF APREMILAST AND ITS INTERMEDIATES Dr. Reddy's Laboratories Ltd. (IN) 2018-04-18 EP claimed
EP-3286168-A1 A SOLID FORM OF APREMILAST AND A PROCESS FOR PREPARING THE SAME Zentiva K.S. (CZ) 2018-02-28 EP claimed
WO-2016199031-A1 PROCESS FOR PREPARATION OF APREMILAST AND ITS INTERMEDIATES DR. REDDY’S LABORATORIES LIMITED (IN) 2016-12-15 WO claimed
WO-2016169533-A1 A SOLID FORM OF APREMILAST AND A PROCESS FOR PREPARING THE SAME ZENTIVA, K.S. (CZ) 2016-10-27 WO claimed
EP-1485087-A1 (+)-2- 1-(3-ETHOXY-4-METHOXYPHENYL)-2-METHYLSULFONYLETHYL]-4-ACETYLAMINOISOINDOLINE-1,3-DIONE: METHODS OF USING AND COMPOSITIONS THEREOF CELGENE CORPORATION (US) 2004-12-15 EP claimed
WO-2003080048-A1 (-)-2-[1-(3-ETHOXY-4-METHOXYPHENYL)-2-METHYLSULFONYLETHYL]-4-ACETYLAMINOISOINDOLINE-1,3-DIONE: METHODS OF USING AND COMPOSITIONS THEREOF CELGENE CORPORATION (US) 2003-10-02 WO claimed
WO-2003080049-A1 (+)-2-[1-(3-ETHOXY-4-METHOXYPHENYL)-2-METHYLSULFONYLETHYL]-4-ACETYLAMINOISOINDOLINE-1,3-DIONE: METHODS OF USING AND COMPOSITIONS THEREOF CELGENE CORPORATION (US) 2003-10-02 WO claimed
EP-3619195-B1 NOVEL PROCESS TO PREPARE N-[2-[(1S)-1-(3-ETHOXY-4-METHOXYPHENYL)-2-(METHYLSULPHONYL) ETHYL]-1, 3-DIOXO-2,3-DIHYDRO-1H-ISOINDOL-4-YL]ACETAMIDE UNICHEM LAB LTD (IN) 2025-07-23 EP disclosed
CN-118851979-A Preparation method of apremilast 潍坊市海欣药业有限公司 2024-10-29 CN disclosed
CN-117286121-A Transaminase, and preparation method and application thereof 江苏海洋大学 2023-12-26 CN disclosed
EP-2651400-B2 CONTROLLED RELEASE ORAL DOSAGE FORMS OF POORLY SOLUBLE DRUGS AND USES THEREOF AMGEN EUROPE GMBH (CH) 2023-01-18 EP disclosed
CN-112694426-B Synthetic method of apremilast intermediate 山东铂源药业股份有限公司 2022-11-04 CN disclosed
EP-1485087-A1 (+)-2- 1-(3-ETHOXY-4-METHOXYPHENYL)-2-METHYLSULFONYLETHYL]-4-ACETYLAMINOISOINDOLINE-1,3-DIONE: METHODS OF USING AND COMPOSITIONS THEREOF CELGENE CORPORATION (US) 2004-12-15 EP disclosed
EP-1126839-A4 SUBSTITUTED PHENETHYLSULFONES AND METHOD OF REDUCING TNF ALPHA LEVELS CELGENE CORP (US) 2004-10-27 EP disclosed
WO-2003080049-A1 (+)-2-[1-(3-ETHOXY-4-METHOXYPHENYL)-2-METHYLSULFONYLETHYL]-4-ACETYLAMINOISOINDOLINE-1,3-DIONE: METHODS OF USING AND COMPOSITIONS THEREOF CELGENE CORPORATION (US) 2003-10-02 WO disclosed
WO-2003080048-A1 (-)-2-[1-(3-ETHOXY-4-METHOXYPHENYL)-2-METHYLSULFONYLETHYL]-4-ACETYLAMINOISOINDOLINE-1,3-DIONE: METHODS OF USING AND COMPOSITIONS THEREOF CELGENE CORPORATION (US) 2003-10-02 WO disclosed
EP-1126839-A1 SUBSTITUTED PHENETHYLSULFONES AND METHOD OF REDUCING TNF ALPHA LEVELS CELGENE CORPORATION (US) 2001-08-29 EP disclosed
WO-2000025777-A1 SUBSTITUTED PHENETHYLSULFONES AND METHOD OF REDUCING TNFαLEVELS CELGENE CORPORATION (US) 2000-05-11 WO disclosed