SCHEMBL6586591

SCHEMBL6586591

COC(=O)Cc1cccc(OCC2COC(C)(C)O2)c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.36
TMEM97 Q5BJF2 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
MAPT P10636 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PDGFRB P09619 1/20 0.34
FGFR1 P11362 1/20 0.34
PDGFRA P16234 1/20 0.34
FLT1 P17948 1/20 0.34
FGFR3 P22607 1/20 0.34
KDR P35968 1/20 0.34
HCRTR2 O43614 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KCNJ5 P48544 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
SCHEMBL6586585 1.00 MAPK14 (0.37) MAPK14GAAHPGDTMEM97SIGMAR1
SCHEMBL6583398 0.90 TMEM97 (0.39) MAPK14GAAHPGDTMEM97SIGMAR1
SCHEMBL6583389 0.90 TMEM97 (0.39) MAPK14GAAHPGDTMEM97SIGMAR1
SCHEMBL6585274 0.85 MAPK14 (0.40) MAPK14HPGDTMEM97SIGMAR1HCRTR2
SCHEMBL6585281 0.85 MAPK14 (0.40) MAPK14HPGDTMEM97SIGMAR1HCRTR2
SCHEMBL6581561 0.84 ALDH1A1 (0.40) MAPK14HPGDTMEM97SIGMAR1MAPT
SCHEMBL6581567 0.84 ALDH1A1 (0.40) MAPK14HPGDTMEM97SIGMAR1MAPT
SCHEMBL6584932 0.83 TMEM97 (0.40) MAPK14TMEM97SIGMAR1KCNJ5KCNJ3
SCHEMBL6583395 0.83 TMEM97 (0.38) MAPK14TMEM97SIGMAR1MAPTCYP1A2
SCHEMBL6584920 0.83 TMEM97 (0.40) MAPK14TMEM97SIGMAR1KCNJ5KCNJ3

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 MAPK14 847/4885GAA 447/4885HPGD 820/4885
US-20020188018-A1 3-indolyl-4-phenyl-1H-pyrrole-2,5-dione derivatives as inhibitors of glycogen synthase kinase-3beta GSK3B, GSK3A, PYGL MAPK14 679/4885GAA 490/4885HPGD 997/4885

“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.