SCHEMBL6583015

SCHEMBL6583015

CC(=O)Oc1cccc(OC[C@@H]2COC(C)(C)O2)c1C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.41
MAPK14 Q16539 5/20 0.41
PTPN1 P18031 1/20 0.40
CA2 P00918 1/20 0.40
ALDH1A1 P00352 2/20 0.40
GLA P06280 1/20 0.40
TMEM97 Q5BJF2 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
KCNJ5 P48544 1/20 0.38
KCNJ3 P48549 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HCRTR2 O43614 1/20 0.36
JAK2 O60674 1/20 0.36
NTRK1 P04629 1/20 0.36

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
SCHEMBL27482283 0.85 MAPK14 (0.41) MAPK14PTPN1CA2TMEM97SIGMAR1
SCHEMBL6584978 0.84 TMEM97 (0.41) MAPK14CA2ALDH1A1GLATMEM97
SCHEMBL6584970 0.84 TMEM97 (0.41) MAPK14CA2ALDH1A1GLATMEM97
SCHEMBL6583395 0.83 TMEM97 (0.38) MAPK14PTPN1CA2ALDH1A1TMEM97
SCHEMBL6583012 0.82 TMEM97 (0.39) MAPK14CA2ALDH1A1GLATMEM97
SCHEMBL6583017 0.82 TMEM97 (0.39) MAPK14CA2ALDH1A1GLATMEM97
SCHEMBL6582774 0.82 MAPK14 (0.41) MAPK14CA2ALDH1A1GLATMEM97
SCHEMBL6582768 0.82 MAPK14 (0.41) MAPK14CA2ALDH1A1GLATMEM97
SCHEMBL6585281 0.81 MAPK14 (0.40) MAPK14CA2ALDH1A1GLATMEM97
SCHEMBL6585274 0.81 MAPK14 (0.40) MAPK14CA2ALDH1A1GLATMEM97

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 ACHE 4030/4885MAPK14 847/4885PTPN1 716/4885
US-20020188018-A1 3-indolyl-4-phenyl-1H-pyrrole-2,5-dione derivatives as inhibitors of glycogen synthase kinase-3beta GSK3B, GSK3A, PYGL ACHE 3289/4885MAPK14 679/4885PTPN1 651/4885

“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.