SCHEMBL10220080

SCHEMBL10220080

CCOC(=O)COc1cc(C)cc(CN2CCN(c3nc4ccc(C(F)(F)F)cc4s3)C[C@@H]2CC)c1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 16/20 0.60
PPARG P37231 13/20 0.60
PPARA Q07869 12/20 0.60
PCSK9 Q8NBP7 1/20 0.42
MAPT P10636 3/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL10220082 1.00 PPARD (0.60) PPARDPPARGPPARAPCSK9MAPT
SCHEMBL10220067 1.00 PPARD (0.60) PPARDPPARGPPARAPCSK9MAPT
SCHEMBL10220085 0.94 PPARD (0.60) PPARDPPARGPPARAPCSK9MAPT
SCHEMBL10220087 0.94 PPARD (0.60) PPARDPPARGPPARAPCSK9MAPT
SCHEMBL10220091 0.93 PPARD (0.57) PPARDPPARGPPARAPCSK9MAPT
SCHEMBL10220094 0.93 PPARD (0.57) PPARDPPARGPPARAPCSK9MAPT
SCHEMBL10220296 0.93 PPARD (0.68) PPARDPPARGPPARAPCSK9CYP2C9
SCHEMBL10220283 0.93 PPARD (0.68) PPARDPPARGPPARAPCSK9CYP2C9
SCHEMBL10220298 0.93 PPARD (0.68) PPARDPPARGPPARAPCSK9CYP2C9
SCHEMBL10220051 0.92 PPARD (0.71) PPARDPPARGPPARAPCSK9

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.