SCHEMBL636038

SCHEMBL636038

CCOc1cc(C[C@@H](N)S(C)(=O)=O)ccc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.48
LDHA P00338 1/20 0.46
SIGMAR1 Q99720 3/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA5A P35218 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
DRD2 P14416 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
ADRA1D P25100 1/20 0.44
HTR2A P28223 1/20 0.44
HTR7 P34969 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
SCHEMBL303557 1.00 PDE4B (0.48) PDE4BLDHASIGMAR1CA12CA1
SCHEMBL18324158 0.87 PDE4B (0.48) PDE4BLDHASIGMAR1L3MBTL1ADRB2
SCHEMBL16929911 0.80 SIGMAR1 (0.55) PDE4BLDHASIGMAR1CA2L3MBTL1
SCHEMBL4456615 0.78 L3MBTL1 (0.47) PDE4BLDHACA12CA1CA2
SCHEMBL28323447 0.78 LDHA (0.60) LDHASIGMAR1L3MBTL1HTR2AMAPK1
SCHEMBL17287644 0.77 SIGMAR1 (0.47) PDE4BLDHASIGMAR1L3MBTL1KDM4E
SCHEMBL20608395 0.77 SIGMAR1 (0.50) PDE4BLDHASIGMAR1L3MBTL1MAPK1
SCHEMBL10325870 0.75 PTGS2 (0.54) PDE4BCA12CA1CA2CA5A
SCHEMBL17287712 0.75 SIGMAR1 (0.45) PDE4BLDHASIGMAR1L3MBTL1KDM4E
SCHEMBL5304491 0.75 CALM1 (0.55) KDM4EMAPTCALM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11260046-B2 (+)-2-[1-(3-Ethoxy-4- methoxyphenyl)-2-methylsulfonylethyl]- 4-acetylaminoisoindoline-1,3-dione: methods of using and compositions thereof AMGEN INC. (US) 2022-03-01 US claimed
US-20210023051-A1 (+)-2-[1-(3-ETHOXY-4- METHOXYPHENYL)-2-METHYLSULFONYLETHYL]- 4-ACETYLAMINOISOINDOLINE-1,3-DIONE: METHODS OF USING AND COMPOSITIONS THEREOF AMGEN INC. 2021-01-28 US claimed
EP-3524242-A1 (+)-2-[1-(3-ETHOXY-4-METHOXYPHENYL)-2-METHYLSULFONYLETHYL]-4-ACETYLAMINOISOINDOLINE-1,3-DIONE: METHODS OF USING AND COMPOSITIONS THEREOF Celgene Corporation (US) 2019-08-14 EP claimed
US-10370329-B2 Process for the enantiomeric resolution of apremilast intermediates Mylan Laboratories Ltd. (IN) 2019-08-06 US claimed
US-20180134660-A1 PROCESS FOR THE ENANTIOMERIC RESOLUTION OF APREMILAST INTERMEDIATES MYLAN LABORATORIES LIMITED (IN) 2018-05-17 US claimed
WO-2016174685-A1 PROCESS FOR THE ENANTIOMERIC RESOLUTION OF APREMILAST INTERMEDIATES MYLAN LABORATORIES LIMITED (IN) 2016-11-03 WO claimed
EP-2420490-B1 Method for the preparation of (+)-2-[1-(3-Ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-4-acetylaminoisoindoline-1,3-dione CELGENE CORP (US) 2016-07-20 EP claimed
EP-2420490-A1 (+)-2-[1-(3-Ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-4-acetylaminoisoindoline-1,3-dione: Methods of using and compositions thereof CELGENE CORPORATION (US) 2012-02-22 EP claimed
US-20050192336-A1 Treatment may include administration of a second active agent, including but not limited to, an anti-inflammatory agent, an immnunosuppressant, mycophenolate mofetil, a biologic agent, or a Cox-2 inhibitor AMGEN INC. 2005-09-01 US 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
US-20030187052-A1 Controrlling concentration of tumor necrosis factor, phosphodiesterase inhibitor; controlling cell differentiation, proliferation; antiinflammatory agents; cardiovascular disorders AMGEN INC. 2003-10-02 US 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-4168390-A1 ANTI-INFLAMMATORY COMPOUNDS AND METHODS FOR THEIR MANUFACTURE BIOHORM, S.L. (ES) 2023-04-26 EP disclosed
EP-3341359-B1 PROCESS FOR PREPARATION OF APREMILAST GLENMARK LIFE SCIENCES LTD (IN) 2022-03-23 EP disclosed
US-11260046-B2 (+)-2-[1-(3-Ethoxy-4- methoxyphenyl)-2-methylsulfonylethyl]- 4-acetylaminoisoindoline-1,3-dione: methods of using and compositions thereof AMGEN INC. (US) 2022-03-01 US disclosed
WO-2021259860-A1 ANTI-INFLAMMATORY COMPOUNDS AND METHODS FOR THEIR MANUFACTURE BIOHORM, S.L. (ES) 2021-12-30 WO disclosed
US-20050267196-A1 Reducing tumor necrosis factor; phosphodiesterase inhibitor; anticancer agents; antidepressants; antiinflammatory agents; skin dsorders; antidepressants AMGEN INC. 2005-12-01 US disclosed
US-6962940-B2 Controrlling concentration of tumor necrosis factor, phosphodiesterase inhibitor; controlling cell differentiation, proliferation; antiinflammatory agents; cardiovascular disorders CELGENE CORPORATION (US) 2005-11-08 US disclosed
US-20050192336-A1 Treatment may include administration of a second active agent, including but not limited to, an anti-inflammatory agent, an immnunosuppressant, mycophenolate mofetil, a biologic agent, or a Cox-2 inhibitor AMGEN INC. 2005-09-01 US disclosed
US-20030187052-A1 Controrlling concentration of tumor necrosis factor, phosphodiesterase inhibitor; controlling cell differentiation, proliferation; antiinflammatory agents; cardiovascular disorders AMGEN INC. 2003-10-02 US 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 (7 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-20180134660-A1 PROCESS FOR THE ENANTIOMERIC RESOLUTION OF APREMILAST INTERMEDIATES QDPR, TPMT, DNPEP PDE4B 1826/4885LDHA 1764/4885SIGMAR1 695/4885
US-20030187052-A1 Controrlling concentration of tumor necrosis factor, phosphodiesterase inhibitor; controlling cell differentiation, proliferation; antiinflammatory agents; cardiovascular disorders PDE4A, PDE2A, PDE3A PDE4B 6/4885LDHA 2526/4885SIGMAR1 619/4885
US-20050192336-A1 Treatment may include administration of a second active agent, including but not limited to, an anti-inflammatory agent, an immnunosuppressant, mycophenolate mofetil, a biologic agent, or a Cox-2 inhibitor IL4, PTGER4, PDE4A PDE4B 7/4885LDHA 3714/4885SIGMAR1 2475/4885
US-11260046-B2 (+)-2-[1-(3-Ethoxy-4- methoxyphenyl)-2-methylsulfonylethyl]- 4-acetylaminoisoindoline-1,3-dione: methods of using and compositions thereof PDE4A, PDE4B, PDE2A PDE4B 2/4885LDHA 2874/4885SIGMAR1 469/4885
US-10370329-B2 Process for the enantiomeric resolution of apremilast intermediates QDPR, TPMT, DNPEP PDE4B 1826/4885LDHA 1764/4885SIGMAR1 695/4885
US-20050267196-A1 Reducing tumor necrosis factor; phosphodiesterase inhibitor; anticancer agents; antidepressants; antiinflammatory agents; skin dsorders; antidepressants PDE4A, TNF, PDE4B PDE4B 3/4885LDHA 1671/4885SIGMAR1 756/4885
US-20210023051-A1 (+)-2-[1-(3-ETHOXY-4- METHOXYPHENYL)-2-METHYLSULFONYLETHYL]- 4-ACETYLAMINOISOINDOLINE-1,3-DIONE: METHODS OF USING AND COMPOSITIONS THEREOF PDE4A, PDE4B, PDE2A PDE4B 2/4885LDHA 2874/4885SIGMAR1 469/4885

“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.