SCHEMBL5093286

SCHEMBL5093286

Cc1ccc(S(=O)(=O)OC(C(=N)N)C(N)c2ccccn2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.38
CYP2D6 P10635 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP3A4 P08684 2/20 0.36
ALDH1A1 P00352 5/20 0.36
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 6/20 0.35
MAPT P10636 3/20 0.34
LMNA P02545 3/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 1/20 0.34
GFER P55789 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
NPC1 O15118 1/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL5094494 0.81 KDM4E (0.42) PTGS2CYP2D6MAPK1ALDH1A1KMT2A
SCHEMBL16344889 0.76 KMT2A (0.42) PTGS2ALDH1A1KMT2AKDM4EMAPT
SCHEMBL25859835 0.76 KMT2A (0.42) PTGS2ALDH1A1KMT2AKDM4EMAPT
SCHEMBL22440088 0.72 KMT2A (0.44) PTGS2ALDH1A1KMT2AKDM4EMAPT
SCHEMBL32681940 0.72 KMT2A (0.44) PTGS2ALDH1A1KMT2AKDM4EMAPT
SCHEMBL11362988 0.70 KMT2A (0.44) PTGS2ALDH1A1KMT2AKDM4EMAPT
SCHEMBL5095054 0.70 KDM4E (0.49) ALDH1A1KDM4EMAPTLMNAHTT
SCHEMBL5094464 0.70 ADRA2A (0.41) CYP2D6MAPK1ALDH1A1KMT2AKDM4E
SCHEMBL22470485 0.69 TSHR (0.42) PTGS2ALDH1A1KMT2AKDM4EMAPT
SCHEMBL26115556 0.68 PTGS2 (0.40) PTGS2CYP3A4ALDH1A1KMT2AKDM4E

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-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
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 PTGS2 2798/4885CYP2D6 2778/4885MAPK1 418/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB PTGS2 2821/4885CYP2D6 2653/4885MAPK1 436/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB PTGS2 2821/4885CYP2D6 2653/4885MAPK1 436/4885

“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.