SCHEMBL16229259

SCHEMBL16229259

[2H]C([2H])([2H])C([2H])([2H])Oc1cc(C(N)C([2H])([2H])S(C)(=O)=O)ccc1OC

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.39
PDE4A P27815 6/20 0.39
PDE4C Q08493 6/20 0.39
PDE4D Q08499 6/20 0.39
ACHE P22303 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
NFKB1 P19838 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL12934644 1.00 PDE4B (0.39) PDE4BPDE4APDE4CPDE4DACHE
SCHEMBL10029181 0.90 PDE4B (0.44) PDE4BPDE4APDE4CPDE4DACHE
SCHEMBL703779 0.90 PDE4B (0.44) PDE4BPDE4APDE4CPDE4DACHE
SCHEMBL10029183 0.89 ACHE (0.33) PDE4BPDE4APDE4CPDE4DACHE
SCHEMBL10029184 0.89 ACHE (0.33) PDE4BPDE4APDE4CPDE4DACHE
SCHEMBL15580951 0.87 PDE4B (0.51) PDE4BPDE4APDE4CPDE4DSMN1; SMN2
SCHEMBL12934636 0.84 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DACHE
SCHEMBL12934635 0.84 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DACHE
SCHEMBL10029179 0.84 PDE4B (0.39) PDE4BPDE4APDE4CPDE4DACHE
SCHEMBL701629 0.84 PDE4B (0.39) PDE4BPDE4APDE4CPDE4DACHE

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-20160264524-A1 SUBSTITUTED ISOINDOLINE-1,3-DIONE DERIVATIVES CONCERT PHARMACEUTICALS INC (US) 2016-09-15 US disclosed
US-9296689-B2 Substituted isoindoline-1,3-dione derivatives CONCERT PHARMACEUTICALS, INC. (US) 2016-03-29 US disclosed
US-20150105438-A1 SUBSTITUTED ISOINDOLINE-1,3-DIONE DERIVATIVES CONCERT PHARMACEUTICALS, INC. (US) 2015-04-16 US disclosed
US-8883843-B2 Substituted isoindoline-1,3-dione derivatives CONCERT PHARMACEUTICALS, INC. (US) 2014-11-11 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-20160264524-A1 SUBSTITUTED ISOINDOLINE-1,3-DIONE DERIVATIVES QDPR, IDO1, ADRA1D PDE4B 67/4885PDE4A 42/4885PDE4C 108/4885
US-20150105438-A1 SUBSTITUTED ISOINDOLINE-1,3-DIONE DERIVATIVES QDPR, IDO1, ADRA1D PDE4B 67/4885PDE4A 42/4885PDE4C 108/4885

“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.