SCHEMBL15580960

SCHEMBL15580960

[2H]C([2H])([2H])S(=O)(=O)C([2H])([2H])[C@@H](N)c1ccc(OC)c(OCC)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.47
PDE4A P27815 12/20 0.47
PDE4C Q08493 12/20 0.47
PDE4D Q08499 12/20 0.47
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ACHE P22303 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
SCHEMBL15580951 0.94 PDE4B (0.51) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL16572255 0.90 PDE4B (0.50) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL15580957 0.89 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL12934644 0.84 PDE4B (0.39) PDE4BPDE4APDE4CPDE4DSMN1; SMN2
SCHEMBL15580934 0.84 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL16229259 0.84 PDE4B (0.39) PDE4BPDE4APDE4CPDE4DSMN1; SMN2
SCHEMBL15580926 0.83 PDE4B (0.59) PDE4BPDE4APDE4CPDE4D
SCHEMBL15580915 0.83 PDE4B (0.59) PDE4BPDE4APDE4CPDE4D
SCHEMBL15869362 0.83 PDE4B (0.59) PDE4BPDE4APDE4CPDE4D
SCHEMBL15869339 0.83 PDE4B (0.59) PDE4BPDE4APDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9434689-B2 Processes for the preparation of isoindole compounds and isotopologues thereof CELGENE CORPORATION (US) 2016-09-06 US disclosed
US-20150183739-A1 PROCESSES FOR THE PREPARATION OF ISOINDOLE COMPOUNDS AND ISOTOPOLOGUES THEREOF AMGEN INC. 2015-07-02 US disclosed
US-8981117-B2 Processes for the preparation of isoindole compounds and isotopologues thereof CELGENE CORPORATION (US) 2015-03-17 US disclosed
US-20140081032-A1 PROCESSES FOR THE PREPARATION OF ISOINDOLE COMPOUNDS AND ISOTOPOLOGUES THEREOF CELGENE CORPORATION (US) 2014-03-20 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 (2 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-20150183739-A1 PROCESSES FOR THE PREPARATION OF ISOINDOLE COMPOUNDS AND ISOTOPOLOGUES THEREOF HPD, DHPS, IDH2 PDE4B 1021/4885PDE4A 1248/4885PDE4C 1388/4885
US-20140081032-A1 PROCESSES FOR THE PREPARATION OF ISOINDOLE COMPOUNDS AND ISOTOPOLOGUES THEREOF HPD, DHPS, IDH2 PDE4B 1021/4885PDE4A 1248/4885PDE4C 1388/4885

“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.