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SCHEMBL6583458

SCHEMBL6583458

CC1(C)OC[C@@H](COc2cccc(CC(=O)O)c2)O1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TMEM97 Q5BJF2 2/20 0.45
▸ SIGMAR1 Q99720 2/20 0.45
▸ MAPK14 Q16539 6/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ PLA2G4B P0C869 1/20 0.42
▸ PPARD Q03181 1/20 0.41
▸ PTGIR P43119 4/20 0.41
▸ GRM2 Q14416 1/20 0.40

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
SCHEMBL6583464 1.00 TMEM97 (0.45) TMEM97SIGMAR1MAPK14ALDH1A1TP53
SCHEMBL7537300 0.89 TMEM97 (0.38) TMEM97SIGMAR1MAPK14PLA2G4BPTGIR
SCHEMBL7537311 0.89 TMEM97 (0.38) TMEM97SIGMAR1MAPK14PLA2G4BPTGIR
SCHEMBL6582973 0.89 MAPK14 (0.44) TMEM97SIGMAR1MAPK14ALDH1A1TP53
SCHEMBL6582978 0.89 MAPK14 (0.44) TMEM97SIGMAR1MAPK14ALDH1A1TP53
SCHEMBL3742916 0.85 TSHR (0.47) TMEM97SIGMAR1MAPK14ALDH1A1TP53
SCHEMBL10754527 0.85 TMEM97 (0.43) TMEM97SIGMAR1MAPK14PLA2G4B
SCHEMBL10754532 0.85 TMEM97 (0.43) TMEM97SIGMAR1MAPK14PLA2G4B
SCHEMBL10761336 0.85 TMEM97 (0.43) TMEM97SIGMAR1MAPK14PLA2G4B
SCHEMBL1034568 0.83 NR1H4 (0.49) MAPK14ALDH1A1TP53CYP3A4TSHR

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.