SCHEMBL537159

SCHEMBL537159

CCOc1cc(C(CS(C)(=O)=O)N2C(=O)c3ccc([N+](=O)[O-])c([N+](=O)[O-])c3C2=O)ccc1OC

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 19/20 0.69
PDE4C Q08493 17/20 0.69
PDE4A P27815 11/20 0.69
PDE4D Q08499 11/20 0.69
HTR2B P41595 1/20 0.60
TNF P01375 1/20 0.50

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
SCHEMBL21750050 0.91 PDE4B (0.68) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL21750048 0.91 PDE4B (0.68) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL1193538 0.89 PDE4B (0.78) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL15198844 0.89 PDE4B (0.78) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL29651471 0.89 PDE4B (0.78) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL17266336 0.87 PDE4B (0.51) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL1194579 0.86 PDE4B (0.74) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL23926412 0.85 PDE4B (0.65) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL23499804 0.85 PDE4B (0.65) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL31063328 0.85 PDE4B (0.65) 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 107 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1698334-B1 Pharmaceutically active isoindoline derivatives CELGENE CORP (US) 2011-04-20 EP claimed
EP-1778635-A2 ISOINDOLINE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CELGENE CORPORATION (US) 2007-05-02 EP claimed
EP-1698334-A1 Pharmaceutically active isoindoline derivatives CELGENE CORPORATION (US) 2006-09-06 EP claimed
US-20060084815-A1 Isoindoline compounds and methods of making and using the same AMGEN INC. 2006-04-20 US claimed
WO-2006025991-A2 ISOINDOLINE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CELGENE CORPORATION (US) 2006-03-09 WO claimed
EP-2555769-B1 METHODS FOR TREATING RESPIRATORY VIRAL INFECTION AMGEN EUROPE GMBH (CH) 2022-01-12 EP disclosed
US-10682336-B2 PDE4 modulators for treating and preventing immune reconstitution inflammatory syndrome (IRIS) AMGEN INC. (US) 2020-06-16 US disclosed
US-20180318257-A1 PDE4 MODULATORS FOR TREATING AND PREVENTING IMMUNE RECONSTITUTION INFLAMMATORY SYNDROME (IRIS) CELGENE CORPORATION 2018-11-08 US disclosed
EP-2583098-B1 BIOMARKERS FOR THE TREATMENT OF PSORIASIS CELGENE CORP (US) 2018-08-08 EP disclosed
EP-2583098-B1 BIOMARKERS FOR THE TREATMENT OF PSORIASIS CELGENE CORP (US) 2018-08-08 EP disclosed
WO-2017070291-A1 PDE4 MODULATORS FOR TREATING AND PREVENTING IMMUNE RECONSTITUTION INFLAMMATORY SYNDROME (IRIS) CELGENE CORPORATION (US) 2017-04-27 WO disclosed
WO-2017070291-A1 PDE4 MODULATORS FOR TREATING AND PREVENTING IMMUNE RECONSTITUTION INFLAMMATORY SYNDROME (IRIS) CELGENE CORPORATION (US) 2017-04-27 WO disclosed
US-20050239867-A1 Methods of using and compositions comprising PDE4 modulators for the treatment and management of pulmonary hypertension CELGENE CORPORATION 2005-10-27 US disclosed
WO-2005094218-A2 METHODS OF USING AND COMPOSITIONS COMPRISING SELECTIVE CYTOKINE INHIBITORY DRUGS FOR THE TREATMENT AND MANAGEMENT OF DISORDERS OF THE CENTRAL NERVOUS SYSTEM CELGENE CORPORATION (US) 2005-10-13 WO disclosed
US-20050142104-A1 Methods of using and compositions comprising PDE4 modulators for the treatment and management of asbestos-related diseases and disorders CELGENE CORPORATION 2005-06-30 US disclosed
WO-2005046592-A2 METHODS OF USING AND COMPOSITIONS COMPRISING PDE4 MODULATORS FOR THE TREATMENT AND MANAGEMENT OF ASBESTOS-RELATED DISEASES AND DISORDERS CELGENE CORPORATION (US) 2005-05-26 WO disclosed
WO-2005043971-A2 METHODS OF USING AND COMPOSITIONS COMPRISING SELECTIVE CYTOKINE INHIBITORY DRUGS FOR TREATMENT, MODIFICATION AND MANAGEMENT OF PAIN CELGENE CORPORATION (US) 2005-05-19 WO disclosed
WO-2005044269-A1 CYTOKINE INHIBITORY DRUGS FOR TREATMENT OF MACULAR DEGENERATION CELGENE CORPORATION (US) 2005-05-19 WO disclosed
US-20040147588-A1 Pharmaceutically active isoindoline derivatives MAN HON-WAH 2004-07-29 US disclosed
US-6667316-B1 Amido or imido functionality; tumor necrosis factor alpha, phosphodiesterases, matrix metalloproteases and angiogenesis inhibitors CELGENE CORPORATION 2003-12-23 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 (6 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-20050142104-A1 Methods of using and compositions comprising PDE4 modulators for the treatment and management of asbestos-related diseases and disorders PDE4A, PDE12, PDE4B PDE4B 3/4885PDE4C 8/4885PDE4A 1/4885
US-20050239867-A1 Methods of using and compositions comprising PDE4 modulators for the treatment and management of pulmonary hypertension PDE4A, PDE12, PDE4B PDE4B 3/4885PDE4C 8/4885PDE4A 1/4885
US-20040147588-A1 Pharmaceutically active isoindoline derivatives PDE3A, PDE5A, PDE2A PDE4B 14/4885PDE4C 10/4885PDE4A 6/4885
US-20180318257-A1 PDE4 MODULATORS FOR TREATING AND PREVENTING IMMUNE RECONSTITUTION INFLAMMATORY SYNDROME (IRIS) PDE4A, PDE4B, PDE3A PDE4B 2/4885PDE4C 5/4885PDE4A 1/4885
US-10682336-B2 PDE4 modulators for treating and preventing immune reconstitution inflammatory syndrome (IRIS) PDE4A, PDE4B, PDE3A PDE4B 2/4885PDE4C 5/4885PDE4A 1/4885
US-20060084815-A1 Isoindoline compounds and methods of making and using the same MCL1, HPGDS, TPMT PDE4B 1194/4885PDE4C 1258/4885PDE4A 1112/4885

“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.