SCHEMBL6582846

SCHEMBL6582846

Cc1c(OCC2COC(C)(C)O2)cccc1C(=O)C=[N+]=[N-]

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.37
KCNJ5 P48544 1/20 0.35
KCNJ3 P48549 1/20 0.35
CA2 P00918 1/20 0.34
JAK2 O60674 2/20 0.34
NTRK1 P04629 2/20 0.34
TMEM97 Q5BJF2 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
HTR7 P34969 1/20 0.33

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
SCHEMBL6580669 1.00 MAPK14 (0.37) MAPK14KCNJ5KCNJ3CA2JAK2
SCHEMBL6581000 0.85 MAPK14 (0.34) MAPK14KCNJ5KCNJ3CA2JAK2
SCHEMBL6583971 0.85 MAPK14 (0.34) MAPK14KCNJ5KCNJ3CA2JAK2
SCHEMBL6584970 0.84 TMEM97 (0.41) MAPK14KCNJ5KCNJ3CA2JAK2
SCHEMBL6584978 0.84 TMEM97 (0.41) MAPK14KCNJ5KCNJ3CA2JAK2
SCHEMBL6582774 0.82 MAPK14 (0.41) MAPK14KCNJ5KCNJ3CA2JAK2
SCHEMBL6582768 0.82 MAPK14 (0.41) MAPK14KCNJ5KCNJ3CA2JAK2
SCHEMBL6583015 0.78 ACHE (0.41) MAPK14KCNJ5KCNJ3CA2JAK2
SCHEMBL6583012 0.75 TMEM97 (0.39) MAPK14KCNJ5KCNJ3CA2TMEM97
SCHEMBL6583017 0.75 TMEM97 (0.39) MAPK14KCNJ5KCNJ3CA2TMEM97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307447-B1 3-INDOLYL-4-PHENYL-1H-PYRROLE-2,5-DIONE DERIVATIVES AS INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3BETA HOFFMANN LA ROCHE (CH) 2004-12-15 EP disclosed
US-20020188018-A1 3-indolyl-4-phenyl-1H-pyrrole-2,5-dione derivatives as inhibitors of glycogen synthase kinase-3beta GONG LEYI (US) 2002-12-12 US disclosed
US-6479490-B2 TREATMENT OF DISEASES CHARACTERIZED BY EXCESS TH2 CYTOKINES AND/ OR AN EXCESS IGE PRODUCTION. SYNTEX (U.S.A.) LLC 2002-11-12 US disclosed
US-20020052397-A1 3-indolyl-4-phenyl-1H-pyrrole-2,5-dione derivatives as inhibitors of glycogen synthase kinase-3beta SYNTEX (U.S.A.) LLC 2002-05-02 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 (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-20020052397-A1 3-indolyl-4-phenyl-1H-pyrrole-2,5-dione derivatives as inhibitors of glycogen synthase kinase-3beta GSK3B, GSK3A, PYGL MAPK14 847/4885KCNJ5 2344/4885KCNJ3 1810/4885
US-20020188018-A1 3-indolyl-4-phenyl-1H-pyrrole-2,5-dione derivatives as inhibitors of glycogen synthase kinase-3beta GSK3B, GSK3A, PYGL MAPK14 679/4885KCNJ5 2108/4885KCNJ3 1581/4885

“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.