SCHEMBL10029183

SCHEMBL10029183

[2H]C([2H])([2H])Oc1ccc([C@H](N)C([2H])([2H])S(=O)(=O)C([2H])([2H])[2H])cc1OC([2H])([2H])C([2H])([2H])[2H]

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
PDE4A P27815 4/20 0.32
PDE4B Q07343 4/20 0.32
PDE4C Q08493 4/20 0.32
PDE4D Q08499 4/20 0.32

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
SCHEMBL10029184 1.00 ACHE (0.33) ACHECA1CA2PDE4APDE4B
SCHEMBL15580978 0.89 ACHE (0.33) ACHECA1CA2PDE4APDE4B
SCHEMBL16229259 0.89 PDE4B (0.39) ACHECA1CA2PDE4APDE4B
SCHEMBL12934644 0.89 PDE4B (0.39) ACHECA1CA2PDE4APDE4B
SCHEMBL10029179 0.88 PDE4B (0.39) ACHECA1CA2PDE4APDE4B
SCHEMBL701629 0.88 PDE4B (0.39) ACHECA1CA2PDE4APDE4B
SCHEMBL15580960 0.82 PDE4B (0.47) ACHECA1CA2PDE4APDE4B
SCHEMBL10029176 0.82 PDE4B (0.38) ACHECA1CA2PDE4APDE4B
SCHEMBL10029173 0.82 PDE4B (0.38) ACHECA1CA2PDE4APDE4B
SCHEMBL10029181 0.81 PDE4B (0.44) ACHECA1CA2PDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124646-B2 Substituted isoindoline-1,3-dione derivatives CONCERT PHARMACEUTICALS, INC. (US) 2012-02-28 US disclosed
US-20100324108-A1 SUBSTITUTED ISOINDOLINE-1,3-DIONE DERIVATIVES CONCERT PHARMACEUTICALS INC. 2010-12-23 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 (1 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-20100324108-A1 SUBSTITUTED ISOINDOLINE-1,3-DIONE DERIVATIVES QDPR, IDO1, ADRA1D ACHE 462/4885CA1 4145/4885CA2 1325/4885

“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.