SCHEMBL3393582

SCHEMBL3393582

CCOc1cc([C@@H](CS(C)(=O)=O)N2Cc3c(Cl)ccc(NC(=O)C4CC4)c3C2=O)ccc1OC

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 19/20 0.52
PDE4C Q08493 16/20 0.52
PDE4A P27815 10/20 0.52
PDE4D Q08499 10/20 0.52
HTR2B P41595 1/20 0.52
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL5509206 1.00 PDE4B (0.52) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL8312201 0.91 PDE4B (0.52) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL5514803 0.91 PDE4B (0.52) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL5510495 0.91 PDE4B (0.52) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL10325822 0.91 PDE4B (0.52) PDE4BPDE4CPDE4APDE4DHTR2B
Cyclopropane SCHEMBL15252546 0.89 PDE4B (0.53) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL3557908 0.89 PDE4B (0.53) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL3553816 0.89 PDE4A (0.51) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL3557906 0.89 PDE4B (0.53) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL3553887 0.89 PDE4A (0.49) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1605896-B1 7-AMINO- ISOINDOLYL COMPOUNDS AMD THEIR PHARMACEUTICAL USES CELGENE CORP (US) 2013-09-18 EP disclosed
US-7799819-B2 7-Amido-isoindolyl compounds and their pharmaceutical uses CELGENE CORPORATION (US) 2010-09-21 US disclosed
US-7799819-B2 7-Amido-isoindolyl compounds and their pharmaceutical uses CELGENE CORPORATION (US) 2010-09-21 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
US-20100129363-A1 METHODS AND COMPOSITIONS USING PDE4 INHIBITORS FOR THE TREATMENT AND MANAGEMENT OF CANCERS CELGENE CORPORATION 2010-05-27 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
US-20090131505-A1 7-Amido-isoindolyl Compounds and Their Pharmaceutical Uses MAN HON-WAH 2009-05-21 US disclosed
US-20090131505-A1 7-Amido-isoindolyl Compounds and Their Pharmaceutical Uses MAN HON-WAH 2009-05-21 US disclosed
US-7511072-B2 7-amido-isoindolyl compounds and methods of its use CELGENE CORPORATION (US) 2009-03-31 US disclosed
US-7511072-B2 7-amido-isoindolyl compounds and methods of its use CELGENE CORPORATION (US) 2009-03-31 US disclosed
US-20070254942-A1 7-amido-isoindolyl compounds and methods of its use CELGENE CORPORATION. 2007-11-01 US disclosed
US-20070254942-A1 7-amido-isoindolyl compounds and methods of its use CELGENE CORPORATION. 2007-11-01 US disclosed
US-7256210-B2 7-amido-isoindolyl compounds and methods of their use CELGENE CORPORATION (US) 2007-08-14 US disclosed
US-7256210-B2 7-amido-isoindolyl compounds and methods of their use CELGENE CORPORATION (US) 2007-08-14 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 (3 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-20090131505-A1 7-Amido-isoindolyl Compounds and Their Pharmaceutical Uses THPO, MCL1, HPGDS PDE4B 564/4885PDE4C 874/4885PDE4A 576/4885
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-20070254942-A1 7-amido-isoindolyl compounds and methods of its use MCL1, THPO, APC PDE4B 1964/4885PDE4C 2369/4885PDE4A 2086/4885

“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.