SCHEMBL15580959

SCHEMBL15580959

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

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.35
PDE4B Q07343 3/20 0.35
PDE4C Q08493 3/20 0.35
PDE4D Q08499 3/20 0.35
STS P08842 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
ACHE P22303 1/20 0.31
PTGS2 P35354 1/20 0.30
FFAR1 O14842 1/20 0.30
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 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
SCHEMBL15580956 0.88 SLC6A2 (0.31) PDE4APDE4BPDE4CPDE4DSLC6A2
SCHEMBL15580949 0.88 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DSTS
SCHEMBL15580954 0.85 SLC6A2 (0.31) SLC6A2SLC6A4SLC6A3TSHRMAPK1
SCHEMBL15580962 0.83 PDE4B (0.49) PDE4APDE4BPDE4CPDE4D
SCHEMBL10029173 0.81 PDE4B (0.38) PDE4APDE4BPDE4CPDE4DCA1
SCHEMBL10029176 0.81 PDE4B (0.38) PDE4APDE4BPDE4CPDE4DCA1
SCHEMBL15580923 0.75 PDE4B (0.57) PDE4APDE4BPDE4CPDE4D
SCHEMBL15580910 0.75 PDE4B (0.57) PDE4APDE4BPDE4CPDE4D
SCHEMBL12934636 0.74 PDE4B (0.43) PDE4APDE4BPDE4CPDE4DCA1
SCHEMBL12934635 0.74 PDE4B (0.43) PDE4APDE4BPDE4CPDE4DCA1

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 PDE4A 1248/4885PDE4B 1021/4885PDE4C 1388/4885
US-20140081032-A1 PROCESSES FOR THE PREPARATION OF ISOINDOLE COMPOUNDS AND ISOTOPOLOGUES THEREOF HPD, DHPS, IDH2 PDE4A 1248/4885PDE4B 1021/4885PDE4C 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.