SCHEMBL10219953

SCHEMBL10219953

CCC1CN(c2nc3ccc(C(F)(F)F)cc3s2)CCN1Cc1cc(C)cc(O)c1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 13/20 0.64
PPARG P37231 11/20 0.64
PPARA Q07869 10/20 0.64
PCSK9 Q8NBP7 1/20 0.39
PHGDH O43175 1/20 0.37
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL10219965 1.00 PPARD (0.64) PPARDPPARGPPARAPCSK9PHGDH
SCHEMBL10219966 1.00 PPARD (0.64) PPARDPPARGPPARAPCSK9PHGDH
SCHEMBL10219971 0.93 PPARD (0.65) PPARDPPARGPPARAPCSK9PHGDH
SCHEMBL10219967 0.93 PPARD (0.65) PPARDPPARGPPARAPCSK9PHGDH
SCHEMBL10219972 0.93 PPARD (0.62) PPARDPPARGPPARAPCSK9PHGDH
SCHEMBL10219980 0.91 PPARD (0.62) PPARDPPARGPPARAPCSK9PHGDH
SCHEMBL10219943 0.90 PPARD (0.79) PPARDPPARGPPARAPHGDH
SCHEMBL10219469 0.86 PPARD (0.63) PPARDPPARGPPARAPCSK9MAPT
SCHEMBL10219465 0.86 PPARD (0.63) PPARDPPARGPPARAPCSK9MAPT
SCHEMBL10219477 0.86 PPARD (0.63) PPARDPPARGPPARAPCSK9MAPT

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 4 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-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
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.