SCHEMBL3382637

SCHEMBL3382637

Cc1ccc(-n2c(=O)sn(C)c2=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 12/20 1.00
GSK3B P49841 12/20 1.00
RGS4 P49798 5/20 0.53
RGS8 P57771 5/20 0.53
F2 P00734 1/20 0.42
ELANE P08246 1/20 0.42
CTSG P08311 1/20 0.42
CMA1 P23946 1/20 0.42
CTRC Q99895 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MGLL Q99685 1/20 0.39

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
SCHEMBL3384854 0.83 GSK3A (1.00) GSK3AGSK3BRGS4RGS8GAA
SCHEMBL3382636 0.83 GSK3A (1.00) GSK3AGSK3BRGS4RGS8ELANE
SCHEMBL3384007 0.82 GSK3B (1.00) GSK3AGSK3BGAA
SCHEMBL6428260 0.80 GSK3B (0.80) GSK3AGSK3BMGLL
SCHEMBL3384147 0.80 GSK3A (1.00) GSK3AGSK3BRGS4RGS8MAPT
SCHEMBL3382652 0.77 GSK3B (0.73) GSK3AGSK3BRGS4RGS8
SCHEMBL6427365 0.76 GSK3A (0.73) GSK3AGSK3BMGLL
SCHEMBL11734241 0.74 GSK3A (0.57) GSK3AGSK3BRGS4RGS8F2
SCHEMBL12613234 0.74 GSK3A (0.57) GSK3AGSK3BRGS4RGS8F2
SCHEMBL23643024 0.73 GSK3A (0.60) GSK3AGSK3BRGS4RGS8F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7781463-B2 Enzyme inhibitors CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2010-08-24 US disclosed
US-7666885-B2 Neurodegenerative disease; anticancer agents; hyperplasia; arterosclerosis; restenosis; non-insulin dependent diabetis; Alzheimer's disease CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2010-02-23 US disclosed
US-20080033012-A1 Enzyme inhibitors COSENJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS, A SPAIN CORPORATION 2008-02-07 US disclosed
WO-2006045581-A1 THE USE OF 1, 2, 4-THIADIAZOLIDINE-3, 5-DIONES AS PPAR ACTIVATORS NEUROPHARMA, S.A. (ES) 2006-05-04 WO disclosed
US-6872737-B2 Heterocyclic inhibitors of glycogen synthase kinase GSK-3 CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2005-03-29 US disclosed
US-20050014803-A1 Enzyme inhibitors CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS, A SPAIN CORPORATION 2005-01-20 US disclosed
US-20030195238-A1 Drugs such as 4-Benzyl-2-methyl-1,2,4-thiadiazolidine-3,5 -dione inhibitors of glycogen synthase kinase-3 (GSK-3), for prophylaxis of neurodegenerative disorders, cancer, hyperplasia, psoriasis, arteriosclerosis or restinosis UNIVERSIDAD AUTONOMA DE MADRID (UAM) (ES) 2003-10-16 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 (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-20080033012-A1 Enzyme inhibitors GSK3B, GSK3A, IDE GSK3A 2/4885GSK3B 1/4885RGS4 4674/4885
US-20030195238-A1 Drugs such as 4-Benzyl-2-methyl-1,2,4-thiadiazolidine-3,5 -dione inhibitors of glycogen synthase kinase-3 (GSK-3), for prophylaxis of neurodegenerative disorders, cancer, hyperplasia, psoriasis, arteriosclerosis or restinosis GSK3B, GSK3A, GSKIP GSK3A 2/4885GSK3B 1/4885RGS4 3476/4885
US-20050014803-A1 Enzyme inhibitors GSK3B, GSK3A, IDE GSK3A 2/4885GSK3B 1/4885RGS4 4674/4885

“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.