SCHEMBL5664515

SCHEMBL5664515

CC(CCc1ccc(OC2(C(=O)O)CCCC2)cc1)n1ccc2cc(OS(C)(=O)=O)ccc21

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.37
▸ PPARA Q07869 4/20 0.35
▸ PPARG P37231 2/20 0.34
▸ TP53 P04637 2/20 0.34
▸ ITGB3 P05106 3/20 0.33
▸ ITGAV P06756 3/20 0.33
▸ MEN1 O00255 1/20 0.33

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
SCHEMBL5661557 0.82 TP53 (0.40) PPARAPPARGTP53
SCHEMBL5660891 0.81 PPARA (0.41) PPARAPPARGTP53
SCHEMBL5659447 0.81 TP53 (0.40) PPARAPPARGTP53
SCHEMBL14526519 0.74 TP53 (0.42) KMT2ATP53
SCHEMBL14526514 0.73 TP53 (0.42) KMT2ATP53
SCHEMBL14526521 0.73 TP53 (0.42) KMT2APPARATP53
SCHEMBL14526735 0.70 TP53 (0.38) KMT2APPARATP53
SCHEMBL14526723 0.70 TP53 (0.40) PPARAPPARGTP53
SCHEMBL14526699 0.69 TP53 (0.38) KMT2ATP53
SCHEMBL5661651 0.68 PPARA (0.42) KMT2APPARAPPARGMEN1

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 KMT2A 3018/4885PPARA 251/4885PPARG 170/4885

“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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