SCHEMBL10220100

SCHEMBL10220100

CCOC(=O)COc1cc(C)cc(CN2[C@H](C)CN(c3nc4cc(F)c(C(F)(F)F)cc4s3)C[C@@H]2C)c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 14/20 0.44
PPARG P37231 12/20 0.44
PPARA Q07869 10/20 0.44
NAAA Q02083 1/20 0.34
CXCR3 P49682 1/20 0.34
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
PCSK9 Q8NBP7 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
SCHEMBL10220330 0.92 PPARD (0.51) PPARDPPARGPPARANAAACXCR3
SCHEMBL10220095 0.91 PPARD (0.55) PPARDPPARGPPARACXCR3MAPT
SCHEMBL10220057 0.87 PPARD (0.57) PPARDPPARGPPARAMAPTPCSK9
SCHEMBL10219483 0.87 PPARD (0.46) PPARDPPARGPPARANAAACXCR3
SCHEMBL10220102 0.86 PPARD (0.46) PPARDPPARGPPARAMAPTALDH1A1
SCHEMBL10220098 0.84 PPARD (0.48) PPARDPPARGPPARAMAPTALDH1A1
SCHEMBL10220056 0.83 PPARD (0.53) PPARDPPARGPPARAMAPTTP53
SCHEMBL10220321 0.83 PPARD (0.63) PPARDPPARGPPARACXCR3
SCHEMBL10219985 0.82 PPARD (0.47) PPARDPPARGPPARANAAACXCR3
SCHEMBL10271404 0.81 PPARG (0.40) PPARDPPARGPPARANAAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097610-B2 Derivative having PPAR agonistic activity SHIONOGI & CO., LTD. (JP) 2012-01-17 US disclosed
US-20090286974-A1 Derivative having ppar agonistic activity SHIONOGI & CO., LTD. (JP) 2009-11-19 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-20090286974-A1 Derivative having ppar agonistic activity PPARD, PPARA, PPARG PPARD 1/4885PPARG 3/4885PPARA 2/4885

“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.