SCHEMBL3517528

SCHEMBL3517528

CCCCCCCCCCCCCCCCc1cccc(C(=O)[O-])c1O.CCCCCCCCCCCCCCCCc1cccc(C(=O)[O-])c1O.[Mg+2]

nearest known ligand 0.52

Known targets — ChEMBL curated mechanism

ATP4AATP4BGABBR1GABBR2HMGCR

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BID P55957 3/20 0.52
MCL1 Q07820 3/20 0.52
PPARA Q07869 3/20 0.52
BCL2L1 Q07817 2/20 0.52
BAK1 Q16611 2/20 0.52
KAT8 Q9H7Z6 2/20 0.52
SAE1 Q9UBE0 2/20 0.52
PPARG P37231 2/20 0.52
EP300 Q09472 1/20 0.52
KAT2A Q92830 1/20 0.52
KAT2B Q92831 1/20 0.52
KAT5 Q92993 1/20 0.52
ALOX5 P09917 1/20 0.51
PTGS2 P35354 1/20 0.51
TYR P14679 1/20 0.46
F7 P08709 3/20 0.46
F3 P13726 3/20 0.46
MMP2 P08253 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL11125907 0.97 BID (0.52) BIDMCL1PPARABCL2L1BAK1
SCHEMBL31372911 0.97 BID (0.52) BIDMCL1PPARABCL2L1BAK1
Zinc Ion SCHEMBL7084049 0.97 BID (0.52) BIDMCL1PPARABCL2L1BAK1
Zinc Ion SCHEMBL10581371 0.97 BID (0.52) BIDMCL1PPARABCL2L1BAK1
Zinc Ion SCHEMBL10584384 0.97 BID (0.52) BIDMCL1PPARABCL2L1BAK1
SCHEMBL9790326 0.97 BID (0.52) BIDMCL1PPARABCL2L1BAK1
SCHEMBL11123537 0.97 BID (0.52) BIDMCL1PPARABCL2L1BAK1
SCHEMBL11169533 0.97 BID (0.52) BIDMCL1PPARABCL2L1BAK1
SCHEMBL8625728 0.91 IAPP (0.48) BIDMCL1PPARABCL2L1BAK1
SCHEMBL1640151 0.91 IAPP (0.48) BIDMCL1PPARABCL2L1BAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200613-B1 PHENAZINE DERIVATIVES AND USES THEREOF UNIV JOHNS HOPKINS (US) 2018-09-05 EP disclosed
US-8669257-B2 Phenazine derivatives and uses thereof as potassium channel modulators THE JOHNS HOPKINS UNIVERSITY (US) 2014-03-11 US disclosed
US-20100330156-A1 PHENAZINE DERIVATIVES AND USES THEREOF THE JOHNS HOPKINS UNIVERSITY (US) 2010-12-30 US disclosed
EP-2200613-A2 PHENAZINE DERIVATIVES AND USES THEREOF The Johns Hopkins University (US) 2010-06-30 EP disclosed
US-20090227606-A1 Methods for Preventing or Treating Acute and Chronic Pain NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-09-10 US disclosed
WO-2009042114-A2 PHENAZINE DERIVATIVES AND USES THEREOF THE JOHNS HOPKINS UNIVERSITY (US) 2009-04-02 WO disclosed
EP-2023932-A1 METHODS FOR PREVENTING OR TREATING ACUTE AND CHRONIC PAIN Trustees of Dartmouth College (US) 2009-02-18 EP disclosed
WO-2007137214-A1 METHODS FOR PREVENTING OR TREATING ACUTE AND CHRONIC PAIN TRUSTEES OF DARTMOUTH COLLEGE (US) 2007-11-29 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 (1 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-20100330156-A1 PHENAZINE DERIVATIVES AND USES THEREOF CYP3A5, CYP3A43, CYP4Z1 BID 2067/4885MCL1 1504/4885PPARA 166/4885

“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.