SCHEMBL6583398

SCHEMBL6583398

CC1(C)OCC(COc2cccc(CC(=O)O)c2[N+](=O)[O-])O1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
MAPK14 Q16539 5/20 0.37
HCRTR2 O43614 1/20 0.35
KCNJ5 P48544 1/20 0.35
KCNJ3 P48549 1/20 0.35
CA2 P00918 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.33
JAK2 O60674 1/20 0.33
NTRK1 P04629 1/20 0.33
PTGDR Q13258 2/20 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
SCHEMBL6583389 1.00 TMEM97 (0.39) TMEM97SIGMAR1MAPK14HCRTR2KCNJ5
SCHEMBL6586585 0.90 MAPK14 (0.37) TMEM97SIGMAR1MAPK14HCRTR2KCNJ5
SCHEMBL6586591 0.90 MAPK14 (0.37) TMEM97SIGMAR1MAPK14HCRTR2KCNJ5
SCHEMBL6584932 0.86 TMEM97 (0.40) TMEM97SIGMAR1MAPK14KCNJ5KCNJ3
SCHEMBL6584920 0.86 TMEM97 (0.40) TMEM97SIGMAR1MAPK14KCNJ5KCNJ3
SCHEMBL6583395 0.84 TMEM97 (0.38) TMEM97SIGMAR1MAPK14HCRTR2KCNJ5
SCHEMBL6583012 0.84 TMEM97 (0.39) TMEM97SIGMAR1MAPK14HCRTR2KCNJ5
SCHEMBL6583017 0.84 TMEM97 (0.39) TMEM97SIGMAR1MAPK14HCRTR2KCNJ5
SCHEMBL6581561 0.82 ALDH1A1 (0.40) TMEM97SIGMAR1MAPK14HPGD
SCHEMBL6581567 0.82 ALDH1A1 (0.40) TMEM97SIGMAR1MAPK14HPGD

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 6 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
EP-1307447-A2 3-INDOLYL-4-PHENYL-1H-PYRROLE-2,5-DIONE DERIVATIVES AS INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3BETA F. HOFFMANN-LA ROCHE AG (CH) 2003-05-07 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
WO-2002010158-A2 3-INDOLYL-4-PHENYL-1H-PYRROLE-2,5-DIONE DERIVATIVES AS INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3BETA F. HOFFMANN-LA ROCHE AG (CH) 2002-02-07 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 (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 TMEM97 4119/4885SIGMAR1 4164/4885MAPK14 847/4885
US-20020188018-A1 3-indolyl-4-phenyl-1H-pyrrole-2,5-dione derivatives as inhibitors of glycogen synthase kinase-3beta GSK3B, GSK3A, PYGL TMEM97 4491/4885SIGMAR1 4262/4885MAPK14 679/4885

“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.