SCHEMBL6586355

SCHEMBL6586355

COC(=O)Cc1cccc(SSc2cccc(CC(=O)OC)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.54
ALDH1A1 P00352 2/20 0.53
GAA P10253 1/20 0.53
GFER P55789 1/20 0.53
HSP90AB1 P08238 1/20 0.49
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
HPGD P15428 4/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
PPARG P37231 2/20 0.43
PPARA Q07869 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PDK2 Q15119 1/20 0.42
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42
NFKB1 P19838 1/20 0.42

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
SCHEMBL1295473 0.88 SLC7A5 (0.52) SLC7A5ALDH1A1GAAGFERHSP90AB1
SCHEMBL8060935 0.85 SLC7A5 (0.50) SLC7A5ALDH1A1GAAGFERHSP90AB1
SCHEMBL12400239 0.85 SLC7A5 (0.68) SLC7A5ALDH1A1GAAGFERHSP90AB1
SCHEMBL14805614 0.84 SLC7A5 (0.49) SLC7A5ALDH1A1GAAGFERHSP90AB1
SCHEMBL6583440 0.83 PPARG (0.46) ALDH1A1MAPTTSHRPPARGPPARA
SCHEMBL23012852 0.83 PPARG (0.55) SLC7A5ALDH1A1GAAGFERHSP90AB1
SCHEMBL29691478 0.83 PPARG (0.55) SLC7A5ALDH1A1GAAGFERHSP90AB1
SCHEMBL1295925 0.83 SLC7A5 (0.48) SLC7A5ALDH1A1GAAGFERHSP90AB1
SCHEMBL3918586 0.82 SLC7A5 (0.47) SLC7A5ALDH1A1GAAGFERHSP90AB1
SCHEMBL3362670 0.81 SLC7A5 (0.55) SLC7A5ALDH1A1GAAGFERHSP90AB1

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 SLC7A5 4580/4885ALDH1A1 2363/4885GAA 447/4885
US-20020188018-A1 3-indolyl-4-phenyl-1H-pyrrole-2,5-dione derivatives as inhibitors of glycogen synthase kinase-3beta GSK3B, GSK3A, PYGL SLC7A5 4638/4885ALDH1A1 2390/4885GAA 490/4885

“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.