SCHEMBL6584978

SCHEMBL6584978

Cc1c(OCC2COC(C)(C)O2)cccc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
MAPK14 Q16539 4/20 0.40
PTGER1 P34995 1/20 0.39
CA2 P00918 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
KCNJ5 P48544 1/20 0.38
KCNJ3 P48549 1/20 0.38
JAK2 O60674 1/20 0.37
NTRK1 P04629 1/20 0.37

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
SCHEMBL6584970 1.00 TMEM97 (0.41) TMEM97SIGMAR1MAPK14PTGER1CA2
SCHEMBL6582774 0.88 MAPK14 (0.41) TMEM97SIGMAR1MAPK14CA2ALDH1A1
SCHEMBL6582768 0.88 MAPK14 (0.41) TMEM97SIGMAR1MAPK14CA2ALDH1A1
SCHEMBL6583015 0.84 ACHE (0.41) TMEM97SIGMAR1MAPK14CA2ALDH1A1
SCHEMBL14882376 0.84 ALDH1A1 (0.51) TMEM97SIGMAR1MAPK14CA2ALDH1A1
SCHEMBL14882375 0.84 ALDH1A1 (0.51) TMEM97SIGMAR1MAPK14CA2ALDH1A1
SCHEMBL6584932 0.84 TMEM97 (0.40) TMEM97SIGMAR1MAPK14CA2KCNJ5
SCHEMBL6584920 0.84 TMEM97 (0.40) TMEM97SIGMAR1MAPK14CA2KCNJ5
SCHEMBL6580669 0.84 MAPK14 (0.37) TMEM97SIGMAR1MAPK14CA2ALDH1A1
SCHEMBL6582846 0.84 MAPK14 (0.37) TMEM97SIGMAR1MAPK14CA2ALDH1A1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2273992-B1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-25 EP disclosed
EP-2768509-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS Glaxosmithkline LLC (US) 2014-08-27 EP disclosed
WO-2013059587-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2013-04-25 WO 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
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 TMEM97 4119/4885SIGMAR1 4164/4885MAPK14 847/4885
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 4262/4885MAPK14 679/4885

“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.