SCHEMBL1609809

SCHEMBL1609809

CCOc1cc([C@@H](CS(C)(=O)=O)N2Cc3cccc([N+](=O)[O-])c3C2=O)ccc1OC

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 19/20 0.56
PDE4C Q08493 15/20 0.56
PDE4A P27815 10/20 0.56
PDE4D Q08499 10/20 0.56
HTR2B P41595 1/20 0.49
TNF P01375 1/20 0.46

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
SCHEMBL1585249 1.00 PDE4B (0.56) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL15869361 1.00 PDE4B (0.56) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL17085033 1.00 PDE4B (0.56) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL15862507 1.00 PDE4B (0.56) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL15869366 1.00 PDE4B (0.56) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL15869358 0.90 PDE4B (0.48) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL1826156 0.87 TNF (0.48) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL1826154 0.87 TNF (0.48) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL15869360 0.87 PDE4B (0.69) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL15862397 0.87 PDE4B (0.69) PDE4BPDE4CPDE4APDE4DHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651400-B2 CONTROLLED RELEASE ORAL DOSAGE FORMS OF POORLY SOLUBLE DRUGS AND USES THEREOF AMGEN EUROPE GMBH (CH) 2023-01-18 EP disclosed
EP-3142748-B1 USE OF PDE4 INHIBITORS AND COMBINATIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS CELGENE CORP (US) 2019-09-11 EP disclosed
EP-2651400-B1 CONTROLLED RELEASE ORAL DOSAGE FORMS OF POORLY SOLUBLE DRUGS AND USES THEREOF CELGENE CORP (US) 2019-08-07 EP disclosed
EP-3373916-A1 CONTROLLED RELEASE ORAL DOSAGE FORMS OF POORLY SOLUBLE DRUGS AND USES THEREOF Celgene Corporation (US) 2018-09-19 EP disclosed
EP-2701701-B1 METHODS AND COMPOSITIONS USING PDE4 INHIBITORS FOR THE TREATMENT AND MANAGEMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES CELGENE CORP (US) 2018-01-24 EP disclosed
EP-2663292-B9 ORAL DOSAGE FORMS OF CYCLOPROPANECARBOXYLIC ACID {2-[(1S)-1-(3-ETHOXY-4-METHOXY-PHENYL]-2-METHANESULFONYL-ETHYL]-3-OXO-2,3-DIHYDRO-1H-ISOINDOL-4-YL}-AMIDE CELGENE CORP (US) 2017-11-08 EP disclosed
US-9757355-B2 Oral dosage forms of cyclopropanecarboxylic acid {2-[(1S)-1-(3-ethoxy-4-methoxy-phenyl)-2-methanesulfonyl-ethyl]-3-oxo-2,3-dihydro-1H-isoindol-4-yl}-amide CELGENE CORPORATION (US) 2017-09-12 US disclosed
WO-2017083348-A1 CONTROLLED RELEASE ORAL DOSAGE FORMS OF POORLY SOLUBLE DRUGS AND USES THEREOF CELGENE CORPORATION (US) 2017-05-18 WO disclosed
EP-2663292-B1 ORAL DOSAGE FORMS OF CYCLOPROPANECARBOXYLIC ACID {2-[(1S)-1-(3-ETHOXY-4-METHOXY-PHENYL]-2-METHANESULFONYL-ETHYL]-3-OXO-2,3-DIHYDRO-1H-ISOINDOL-4-YL}-AMIDE CELGENE CORP (US) 2017-05-10 EP disclosed
US-9642836-B2 Isotopologues of isoindole derivatives CELGENE CORPORATION (US) 2017-05-09 US disclosed
US-20140018404-A1 CONTROLLED RELEASE ORAL DOSAGE FORMS OF POORLY SOLUBLE DRUGS AND USES THEREOF CELGENE CORPORATION (US) 2014-01-16 US disclosed
EP-2486012-B1 PROCESSES FOR THE PREPARATION OF 2-(1-PHENYLETHYL) ISOINDOLIN-1-ONE COMPOUNDS CELGENE CORP (US) 2013-12-11 EP disclosed
US-20130116204-A1 (METHYLSULFONYL) ETHYL BENZENE ISOINDOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USES CELGENE CORPORATION (US) 2013-05-09 US disclosed
US-8415485-B2 Processes for the preparation of 2-(1-phenylethyl)isoindolin-1-one compounds CELGENE CORPORATION (US) 2013-04-09 US disclosed
US-8415485-B2 Processes for the preparation of 2-(1-phenylethyl)isoindolin-1-one compounds CELGENE CORPORATION (US) 2013-04-09 US disclosed
US-8415485-B2 Processes for the preparation of 2-(1-phenylethyl)isoindolin-1-one compounds CELGENE CORPORATION (US) 2013-04-09 US disclosed
US-20120276087-A1 METHODS AND COMPOSITIONS USING PDE4 INHIBITORS FOR THE TREATMENT AND MANAGEMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES AMGEN INC. 2012-11-01 US disclosed
US-20110087033-A1 Processes for the Preparation of 2-(1-Phenylethyl)isoindolin-1-one Compounds AMGEN INC. 2011-04-14 US disclosed
US-20110087033-A1 Processes for the Preparation of 2-(1-Phenylethyl)isoindolin-1-one Compounds AMGEN INC. 2011-04-14 US disclosed
US-20100129363-A1 METHODS AND COMPOSITIONS USING PDE4 INHIBITORS FOR THE TREATMENT AND MANAGEMENT OF CANCERS CELGENE CORPORATION 2010-05-27 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 (5 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-20110087033-A1 Processes for the Preparation of 2-(1-Phenylethyl)isoindolin-1-one Compounds PNMT, CYP2E1, CYP1A1 PDE4B 2125/4885PDE4C 2410/4885PDE4A 2697/4885
US-20140018404-A1 CONTROLLED RELEASE ORAL DOSAGE FORMS OF POORLY SOLUBLE DRUGS AND USES THEREOF ABCB11, SUCNR1, SI PDE4B 1070/4885PDE4C 1604/4885PDE4A 748/4885
US-20100129363-A1 METHODS AND COMPOSITIONS USING PDE4 INHIBITORS FOR THE TREATMENT AND MANAGEMENT OF CANCERS PDE4A, PDE4B, PDE4C PDE4B 2/4885PDE4C 3/4885PDE4A 1/4885
US-20130116204-A1 (METHYLSULFONYL) ETHYL BENZENE ISOINDOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USES ABCG2, TPMT, CYP2D6 PDE4B 1179/4885PDE4C 1536/4885PDE4A 1328/4885
US-20120276087-A1 METHODS AND COMPOSITIONS USING PDE4 INHIBITORS FOR THE TREATMENT AND MANAGEMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES PDE4A, PDE4B, PDE4C PDE4B 2/4885PDE4C 3/4885PDE4A 1/4885

“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.