SCHEMBL6584920

SCHEMBL6584920

CC1(C)OC[C@@H](COc2cccc(C(=O)O)c2[N+](=O)[O-])O1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
HPD P32754 8/20 0.40
MAPK14 Q16539 4/20 0.38
CA2 P00918 1/20 0.36
KCNJ5 P48544 1/20 0.36
KCNJ3 P48549 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
SCHEMBL6584932 1.00 TMEM97 (0.40) TMEM97SIGMAR1HPDMAPK14CA2
SCHEMBL6581561 0.91 ALDH1A1 (0.40) TMEM97SIGMAR1HPDMAPK14
SCHEMBL6581567 0.91 ALDH1A1 (0.40) TMEM97SIGMAR1HPDMAPK14
SCHEMBL6583395 0.87 TMEM97 (0.38) TMEM97SIGMAR1MAPK14CA2KCNJ5
SCHEMBL6583398 0.86 TMEM97 (0.39) TMEM97SIGMAR1MAPK14CA2KCNJ5
SCHEMBL6583389 0.86 TMEM97 (0.39) TMEM97SIGMAR1MAPK14CA2KCNJ5
SCHEMBL6583971 0.86 MAPK14 (0.34) TMEM97SIGMAR1HPDMAPK14CA2
SCHEMBL6581000 0.86 MAPK14 (0.34) TMEM97SIGMAR1HPDMAPK14CA2
SCHEMBL6584978 0.84 TMEM97 (0.41) TMEM97SIGMAR1MAPK14CA2KCNJ5
SCHEMBL6584970 0.84 TMEM97 (0.41) TMEM97SIGMAR1MAPK14CA2KCNJ5

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 TMEM97 4119/4885SIGMAR1 4164/4885HPD 794/4885
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 4262/4885HPD 659/4885

“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.