SCHEMBL4077540

SCHEMBL4077540

COc1ccc(C(CS(C)(=O)=O)N2C(=O)c3[c]cccc3C2C(N)=O)cc1OCC1CC1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.44
PDE4A P27815 10/20 0.44
PDE4C Q08493 10/20 0.44
PDE4D Q08499 10/20 0.44
HTR2B P41595 1/20 0.40

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
SCHEMBL673206 0.91 PDE4B (0.54) PDE4BPDE4APDE4CPDE4DHTR2B
SCHEMBL2979183 0.91 PDE4B (0.54) PDE4BPDE4APDE4CPDE4DHTR2B
SCHEMBL2966972 0.83 PDE4B (0.45) PDE4BPDE4APDE4CPDE4DHTR2B
SCHEMBL3550817 0.83 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DHTR2B
SCHEMBL3554026 0.82 PDE4A (0.50) PDE4BPDE4APDE4CPDE4DHTR2B
SCHEMBL4769350 0.80 PDE4B (0.55) PDE4BPDE4APDE4CPDE4DHTR2B
SCHEMBL3550320 0.80 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DHTR2B
SCHEMBL1829130 0.79 PDE4A (0.47) PDE4BPDE4APDE4CPDE4DHTR2B
SCHEMBL3553860 0.79 PDE4A (0.47) PDE4BPDE4APDE4CPDE4DHTR2B
SCHEMBL15252404 0.78 PDE4A (0.46) PDE4BPDE4APDE4CPDE4DHTR2B

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090148388-A1 Isoindoline Compounds and Methods of Making and Using the Same CELGENE CORPORATION 2009-06-11 US disclosed
US-7495112-B2 Isoindoline compounds and methods of making and using the same CELGENE CORPORATION (US) 2009-02-24 US disclosed
US-20070244183-A1 Isoindoline compounds and methods of making and using the same CELGENE CORPORATION 2007-10-18 US disclosed
US-7244759-B2 Isoindoline compounds and methods of making and using the same CELGENE CORPORATION (US) 2007-07-17 US disclosed
EP-1778635-A2 ISOINDOLINE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CELGENE CORPORATION (US) 2007-05-02 EP disclosed
US-20060084815-A1 Isoindoline compounds and methods of making and using the same AMGEN INC. 2006-04-20 US disclosed
WO-2006025991-A2 ISOINDOLINE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CELGENE CORPORATION (US) 2006-03-09 WO 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-20090148388-A1 Isoindoline Compounds and Methods of Making and Using the Same MCL1, HPGDS, TPMT PDE4B 1194/4885PDE4A 1112/4885PDE4C 1258/4885
US-20070244183-A1 Isoindoline compounds and methods of making and using the same MCL1, HPGDS, TPMT PDE4B 1194/4885PDE4A 1112/4885PDE4C 1258/4885
US-20060084815-A1 Isoindoline compounds and methods of making and using the same MCL1, HPGDS, TPMT PDE4B 1194/4885PDE4A 1112/4885PDE4C 1258/4885

“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.