SCHEMBL10219441

SCHEMBL10219441

COC(=O)c1cc(C)cc(CN2C(C)CN(c3nc4ccc(C(F)(F)F)cc4s3)CC2C)c1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 13/20 0.63
PPARG P37231 11/20 0.63
PPARA Q07869 10/20 0.63
PCSK9 Q8NBP7 1/20 0.45
CYP2D6 P10635 1/20 0.40
CSNK1D P48730 2/20 0.40
DYRK1A Q13627 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 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
SCHEMBL10219451 0.90 PPARD (0.77) PPARDPPARGPPARAPCSK9
SCHEMBL10219437 0.90 PPARD (0.77) PPARDPPARGPPARAPCSK9
SCHEMBL10219459 0.88 PPARD (0.64) PPARDPPARGPPARAPCSK9CYP2D6
SCHEMBL10219445 0.87 PPARG (0.48) PPARDPPARGPPARA
SCHEMBL10219630 0.87 PPARD (0.64) PPARDPPARGPPARAPCSK9CYP2D6
SCHEMBL10220667 0.86 PPARD (0.80) PPARDPPARGPPARA
SCHEMBL10219433 0.86 PPARD (0.74) PPARDPPARGPPARAPCSK9
SCHEMBL10219947 0.85 PPARD (0.62) PPARDPPARGPPARAPCSK9CYP2D6
SCHEMBL10271106 0.85 PPARD (0.60) PPARDPPARGPPARAPCSK9CSNK1D
SCHEMBL10219443 0.85 PPARD (0.77) PPARDPPARGPPARAPCSK9CYP2D6

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.