SCHEMBL15580956

SCHEMBL15580956

[2H]C([2H])([2H])Oc1ccc([C@]([2H])(N)C([2H])([2H])S(C)(=O)=O)cc1C

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL15580954 0.95 SLC6A2 (0.31) SLC6A2SLC6A4SLC6A3TSHRMAPK1
SCHEMBL15580959 0.88 PDE4A (0.35) SLC6A2SLC6A4SLC6A3PDE4APDE4B
SCHEMBL15580966 0.84 PDE4B (0.43) PDE4APDE4BPDE4CPDE4D
SCHEMBL15580949 0.81 PDE4A (0.35) SLC6A2SLC6A4SLC6A3PDE4APDE4B
SCHEMBL15580970 0.79 PDE4B (0.41) PDE4APDE4BPDE4CPDE4D
SCHEMBL15580978 0.78 ACHE (0.33) PDE4APDE4BPDE4CPDE4DCA1
SCHEMBL15580932 0.75 PDE4B (0.50) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL10029176 0.73 PDE4B (0.38) PDE4APDE4BPDE4CPDE4DCA1
SCHEMBL10029173 0.73 PDE4B (0.38) PDE4APDE4BPDE4CPDE4DCA1
SCHEMBL15580957 0.72 PDE4B (0.47) PDE4APDE4BPDE4CPDE4DMAPK1

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 SLC6A2 2600/4885SLC6A4 2036/4885SLC6A3 1854/4885
US-20140081032-A1 PROCESSES FOR THE PREPARATION OF ISOINDOLE COMPOUNDS AND ISOTOPOLOGUES THEREOF HPD, DHPS, IDH2 SLC6A2 2600/4885SLC6A4 2036/4885SLC6A3 1854/4885

“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.