SCHEMBL5659479

SCHEMBL5659479

CC(C)C(C)(Oc1ccc(CCCn2ccc3cc(OS(C)(=O)=O)ccc32)cc1)C(=O)[O-].CC(C)C(C)(Oc1ccc(CCCn2ccc3cc(OS(C)(=O)=O)ccc32)cc1)C(=O)[O-].[Mg+2]

nearest known ligand 0.40

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 10)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 1/20 0.40
▸ PLA2G4A P47712 3/20 0.39
▸ MCL1 Q07820 5/20 0.38
▸ BCL2 P10415 3/20 0.38
▸ TP53 P04637 1/20 0.37
▸ PPARG P37231 7/20 0.37
▸ PPARA Q07869 6/20 0.37
▸ PPARD Q03181 2/20 0.37
▸ MTNR1A P48039 1/20 0.35
▸ MTNR1B P49286 1/20 0.35

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
Magnesium SCHEMBL5659480 0.90 PPARG (0.43) RORCPLA2G4AMCL1BCL2PPARG
SCHEMBL5660741 0.83 PPARG (0.49) MCL1BCL2PPARGPPARAPPARD
SCHEMBL14526736 0.82 RORC (0.41) RORCPLA2G4AMCL1BCL2PPARG
SCHEMBL5661074 0.81 PPARG (0.44) PLA2G4AMCL1BCL2PPARGPPARA
SCHEMBL5658238 0.81 PPARG (0.44) PLA2G4AMCL1BCL2PPARGPPARA
SCHEMBL5659751 0.81 PPARG (0.49) PLA2G4APPARGPPARAPPARD
SCHEMBL14548336 0.81 MCL1 (0.38) RORCPLA2G4AMCL1BCL2TP53
SCHEMBL5661012 0.80 PPARA (0.42) PLA2G4AMCL1BCL2PPARGPPARA
SCHEMBL14548302 0.80 MTNR1A (0.41) RORCPLA2G4AMCL1BCL2TP53
SCHEMBL14548300 0.80 MTNR1A (0.41) RORCPLA2G4AMCL1BCL2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070093476-A1 Novel compounds and their use in medicine,as antidiabetic and hypolipidemic agents, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2007-04-26 — — 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 (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-20070093476-A1 Novel compounds and their use in medicine,as antidiabetic and hypolipidemic agents, process for their preparation and pharmaceutical compositions containing them GPR119, NR1H3, NR1H2 RORC 580/4885PLA2G4A 2359/4885MCL1 1367/4885

“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.

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