SCHEMBL5661012

SCHEMBL5661012

CCOC(=O)C(C)(C)Oc1ccc(CCCn2ccc3cc(OS(C)(=O)=O)ccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 11/20 0.42
▸ PPARG P37231 10/20 0.42
▸ ABCB11 O95342 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ PMP22 Q01453 1/20 0.42
▸ PPARD Q03181 2/20 0.41
▸ PLA2G4A P47712 3/20 0.40
▸ BCL2 P10415 1/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ FBP1 P09467 1/20 0.38
▸ MTNR1A P48039 1/20 0.38
▸ MTNR1B P49286 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
SCHEMBL5660099 0.97 PPARA (0.43) PPARAPPARGABCB11CYP1A2CYP3A4
SCHEMBL5661653 0.91 PPARG (0.55) PPARAPPARGPPARDBCL2MCL1
SCHEMBL5660995 0.90 MCL1 (0.47) PPARAPPARGABCB11CYP1A2CYP3A4
SCHEMBL5660741 0.89 PPARG (0.49) PPARAPPARGPPARDBCL2MCL1
SCHEMBL5662960 0.87 MTNR1A (0.43) PPARAPPARGABCB11CYP1A2CYP3A4
SCHEMBL5659751 0.86 PPARG (0.49) PPARAPPARGPPARDPLA2G4A
SCHEMBL14526668 0.85 MTNR1A (0.42) PPARAPPARGPPARDPLA2G4ABCL2
SCHEMBL14526466 0.85 MTNR1A (0.42) PPARAPPARGPPARDPLA2G4ABCL2
SCHEMBL5658238 0.84 PPARG (0.44) PPARAPPARGPPARDPLA2G4ABCL2
SCHEMBL5661074 0.84 PPARG (0.44) PPARAPPARGPPARDPLA2G4ABCL2

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 3 patents. 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
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
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 PPARA 251/4885PPARG 170/4885ABCB11 90/4885

“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.

Send feedback