SCHEMBL6582978

SCHEMBL6582978

COC(=O)Cc1cccc(OCC2COC(C)(C)O2)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.44
SLC7A5 Q01650 1/20 0.41
TMEM97 Q5BJF2 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
POLB P06746 1/20 0.39
KCNJ5 P48544 1/20 0.38
KCNJ3 P48549 1/20 0.38
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38

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
SCHEMBL6582973 1.00 MAPK14 (0.44) MAPK14SLC7A5TMEM97SIGMAR1ALDH1A1
SCHEMBL6583458 0.89 TMEM97 (0.45) MAPK14TMEM97SIGMAR1ALDH1A1TP53
SCHEMBL6583464 0.89 TMEM97 (0.45) MAPK14TMEM97SIGMAR1ALDH1A1TP53
SCHEMBL10757928 0.86 NPC1 (0.43) MAPK14TMEM97SIGMAR1ALDH1A1
SCHEMBL3742916 0.83 TSHR (0.47) MAPK14TMEM97SIGMAR1ALDH1A1TP53
SCHEMBL20356605 0.82 ALDH1A1 (0.46) MAPK14TMEM97SIGMAR1ALDH1A1TP53
SCHEMBL20356712 0.82 ALDH1A1 (0.46) MAPK14TMEM97SIGMAR1ALDH1A1TP53
SCHEMBL1075429 0.82 MAPK14 (0.45) MAPK14ALDH1A1TP53CYP3A4TSHR
SCHEMBL1075428 0.82 MAPK14 (0.45) MAPK14ALDH1A1TP53CYP3A4TSHR
SCHEMBL16193077 0.82 MAPK14 (0.45) 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
CN-1185229-C 3-indolyl-4-phenyl-1H-pyrrole-2, 5-dione derivatives as glycogen synthase kinase-3 beta inhibitors HOFFMANN LA ROCHE (CH) 2005-01-19 CN disclosed
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
CN-1444581-A 3-indolyl-4-phenyl-1H-pyrrole-2, 5-dione derivatives as inhibitors of glycogen synthase kinase-3beta HOFFMANN LA ROCHE (CH) 2003-09-24 CN 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

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 847/4885SLC7A5 4580/4885TMEM97 4119/4885
US-20020188018-A1 3-indolyl-4-phenyl-1H-pyrrole-2,5-dione derivatives as inhibitors of glycogen synthase kinase-3beta GSK3B, GSK3A, PYGL MAPK14 679/4885SLC7A5 4638/4885TMEM97 4491/4885

“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.