SCHEMBL5094494

SCHEMBL5094494

Cc1ccc(S(=O)(=O)OC(C(=N)N)C(N)Nc2ccccn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
LMNA P02545 3/20 0.42
MAPT P10636 3/20 0.42
HTT P42858 2/20 0.42
GAA P10253 2/20 0.42
GFER P55789 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 5/20 0.39
KMT2A Q03164 4/20 0.39
RAB9A P51151 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 3/20 0.39
PTGS2 P35354 1/20 0.38
NPC1 O15118 1/20 0.38
MAPK1 P28482 2/20 0.37
POLB P06746 1/20 0.37
HSP90AA1 P07900 1/20 0.36
FDPS P14324 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL5095054 0.82 KDM4E (0.49) KDM4ESMN1; SMN2LMNAMAPTHTT
SCHEMBL5095223 0.82 TAAR1 (0.34) KDM4ELMNAMAPTALDH1A1KMT2A
SCHEMBL5093286 0.81 PTGS2 (0.38) KDM4ESMN1; SMN2LMNAMAPTHTT
SCHEMBL5094693 0.81 RAB9A (0.43) KDM4ESMN1; SMN2LMNAMAPTHTT
SCHEMBL5099581 0.81 ALDH1A1 (0.40) GAATDP1ALDH1A1KMT2AMEN1
SCHEMBL6086161 0.77 PKM (0.33) KDM4ESMN1; SMN2LMNAMAPTGFER
SCHEMBL6087081 0.76 ALDH1A1 (0.34) LMNAMAPTHTTALDH1A1KMT2A
SCHEMBL6085307 0.73 SMN1; SMN2 (0.41) KDM4ESMN1; SMN2LMNAMAPTHTT
SCHEMBL25859835 0.66 KMT2A (0.42) KDM4ESMN1; SMN2LMNAMAPTHTT
SCHEMBL16344889 0.66 KMT2A (0.42) KDM4ESMN1; SMN2LMNAMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7425557-B2 Inhibitors of glycogen synthase kinase 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-16 US disclosed
US-7045519-B2 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-05-16 US disclosed
US-7037918-B2 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-05-02 US disclosed
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-04-27 US disclosed
EP-1087963-B1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORP (US) 2004-08-25 EP disclosed
US-20030130289-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2003-07-10 US disclosed
EP-1317433-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2003-06-11 EP disclosed
US-6489344-B1 FOR TREATMENT DIABETES IN A HUMAN OR ANIMAL SUBJECT CHIRON CORPORATION 2002-12-03 US disclosed
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2002-10-24 US disclosed
US-6417185-B1 HETEROCYCLIC ENZYME INHIBITORS CHIRON CORPORATION 2002-07-09 US disclosed
WO-2002020495-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2002-03-14 WO disclosed
EP-1087963-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 Chiron Corporation (US) 2001-04-04 EP disclosed
WO-1999065897-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 1999-12-23 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-20030130289-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB KDM4E 2320/4885SMN1; SMN2 3937/4885LMNA 946/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB KDM4E 2567/4885SMN1; SMN2 3847/4885LMNA 985/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB KDM4E 2567/4885SMN1; SMN2 3847/4885LMNA 985/4885

“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.