SCHEMBL3203109

SCHEMBL3203109

CN1CCN(S(=O)(=O)c2ccc(Cl)nc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.72
ALDH1A1 P00352 2/20 0.72
CYP2D6 P10635 1/20 0.72
ATM Q13315 1/20 0.64
LMNA P02545 1/20 0.59
HTT P42858 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.54
USP2 O75604 1/20 0.54
RAB9A P51151 1/20 0.54
PKM P14618 1/20 0.53
TSHR P16473 1/20 0.53

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
SCHEMBL4063776 0.94 POLB (0.74) POLBALDH1A1CYP2D6ATMLMNA
SCHEMBL2977562 0.85 POLB (0.97) POLBALDH1A1CYP2D6LMNAL3MBTL1
SCHEMBL23089669 0.85 POLB (0.90) POLBALDH1A1CYP2D6LMNAHTT
SCHEMBL14134639 0.84 POLB (1.00) POLBALDH1A1CYP2D6LMNAL3MBTL1
SCHEMBL4060347 0.84 ALDH1A1 (0.67) POLBALDH1A1CYP2D6ATMLMNA
SCHEMBL5697752 0.84 ALDH1A1 (0.67) POLBALDH1A1CYP2D6ATMLMNA
SCHEMBL4062604 0.84 ALDH1A1 (1.00) POLBALDH1A1CYP2D6HTTKMT2A
SCHEMBL2980751 0.83 POLB (0.70) POLBALDH1A1CYP2D6ATMLMNA
SCHEMBL13417649 0.83 ATM (0.57) POLBALDH1A1ATMLMNAHTT
SCHEMBL29279181 0.83 POLB (0.74) POLBALDH1A1CYP2D6LMNAL3MBTL1

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
US-7683067-B2 3-heterocyclyl-indole derivatives as inhibitors of glycogen synthase kinase-3 (GSK-3) ASTRAZENECA AB (SE) 2010-03-23 US disclosed
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
US-20080275041-A1 3-Heterocyclyl-Indole Derivatives as Inhibitors of Glycogen Synthase Kinase-3 (Gsk-3) ASTRAZENECA AB (SE) 2008-11-06 US 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
EP-1667990-A2 NEW COMPOUNDS AstraZeneca AB (SE) 2006-06-14 EP disclosed
US-20050153987-A1 Compounds ASTRAZENECA AB (SE) 2005-07-14 US disclosed
WO-2005027823-A2 3-HETEROCYCLYL-INDOLE DERIVATIVES AS INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3 (GSK-3) ASTRAZENECA AB (SE) 2005-03-31 WO 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 (3 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 POLB 1474/4885ALDH1A1 275/4885CYP2D6 49/4885
US-20080275041-A1 3-Heterocyclyl-Indole Derivatives as Inhibitors of Glycogen Synthase Kinase-3 (Gsk-3) GSK3B, GSK3A, GSKIP POLB 1893/4885ALDH1A1 2460/4885CYP2D6 1098/4885
US-20050153987-A1 Compounds SDHA, CYP11B2, CYP11B1 POLB 1833/4885ALDH1A1 228/4885CYP2D6 20/4885

“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.