SCHEMBL4062604

SCHEMBL4062604

CCN1CCN(S(=O)(=O)c2ccc(Cl)nc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 1.00
CYP2D6 P10635 1/20 1.00
POLB P06746 2/20 0.67
KDM4E B2RXH2 1/20 0.62
GAA P10253 1/20 0.62
HTT P42858 1/20 0.51
KMT2A Q03164 1/20 0.50
PKM P14618 1/20 0.49
MAPT P10636 2/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL3191393 0.84 POLB (0.74) ALDH1A1CYP2D6POLBKDM4EGAA
SCHEMBL4071582 0.84 ALDH1A1 (0.72) ALDH1A1CYP2D6POLBKDM4EGAA
SCHEMBL3203109 0.84 POLB (0.72) ALDH1A1CYP2D6POLBHTTKMT2A
SCHEMBL3182368 0.83 ALDH1A1 (0.70) ALDH1A1CYP2D6POLBKDM4EGAA
SCHEMBL3199394 0.83 ALDH1A1 (0.70) ALDH1A1CYP2D6POLBKDM4EGAA
SCHEMBL3205826 0.82 ALDH1A1 (0.70) ALDH1A1CYP2D6POLBKDM4EGAA
SCHEMBL3196506 0.82 ALDH1A1 (0.70) ALDH1A1CYP2D6POLBKDM4EGAA
SCHEMBL4129372 0.82 ALDH1A1 (0.70) ALDH1A1CYP2D6POLBKDM4EGAA
SCHEMBL23089669 0.82 POLB (0.90) ALDH1A1CYP2D6POLBKDM4EGAA
SCHEMBL2977562 0.82 POLB (0.97) ALDH1A1CYP2D6POLBKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1961748-A2 2-hydroxy-3-heteroarylindole derivatives as GSK3 inhibitors AstraZeneca AB (SE) 2008-08-27 EP claimed
US-20050153987-A1 Compounds ASTRAZENECA AB (SE) 2005-07-14 US claimed
EP-1492785-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2005-01-05 EP claimed
WO-2003082853-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2003-10-09 WO claimed
EP-1492785-B9 2-HYDROXY-3-HETEROARYLINDOLE DERIVATIVES AS GSK3 INHIBITORS ASTRAZENECA AB (SE) 2009-10-21 EP disclosed
US-20090149460-A1 New Compounds BERG STEFAN 2009-06-11 US disclosed
EP-1492785-B1 2-HYDROXY-3-HETEROARYLINDOLE DERIVATIVES AS GSK3 INHIBITORS ASTRAZENECA AB (SE) 2008-12-03 EP disclosed
EP-1961748-A2 2-hydroxy-3-heteroarylindole derivatives as GSK3 inhibitors AstraZeneca AB (SE) 2008-08-27 EP disclosed
US-7399780-B2 3-Heterocyclyl-indole inhibitors of glycogen synthase kinase-3 ASTRAZENECA AB (SE) 2008-07-15 US disclosed
US-20050153987-A1 Compounds ASTRAZENECA AB (SE) 2005-07-14 US disclosed
EP-1492785-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2005-01-05 EP disclosed
WO-2003082853-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2003-10-09 WO 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-20090149460-A1 New Compounds SDHA, CYP11B2, SERPINB1 ALDH1A1 275/4885CYP2D6 49/4885POLB 1474/4885
US-20050153987-A1 Compounds SDHA, CYP11B2, CYP11B1 ALDH1A1 228/4885CYP2D6 20/4885POLB 1833/4885

“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.