SCHEMBL10219895

SCHEMBL10219895

CCOC(=O)Cc1cccc(OCCC2CCN(c3nc4ccc(C(F)(F)F)cc4s3)CC2)c1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 14/20 0.65
PPARG P37231 12/20 0.65
PPARA Q07869 11/20 0.65
PCSK9 Q8NBP7 1/20 0.52
MAPT P10636 4/20 0.47
TP53 P04637 2/20 0.47
CSNK1D P48730 1/20 0.46
CYP2C9 P11712 1/20 0.45
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL10219929 0.91 PPARG (0.66) PPARDPPARGPPARAPCSK9MAPT
SCHEMBL10219921 0.91 PPARG (0.68) PPARDPPARGPPARAMAPTTP53
SCHEMBL10220174 0.90 PPARD (0.79) PPARDPPARGPPARACSNK1DCYP2C9
SCHEMBL10219858 0.89 PPARD (0.81) PPARDPPARGPPARAMAPTTP53
SCHEMBL334756 0.89 PPARG (0.66) PPARDPPARGPPARAMAPTTP53
SCHEMBL10219894 0.88 PCSK9 (0.65) PPARDPPARGPPARAPCSK9MAPT
SCHEMBL334724 0.88 PPARG (0.67) PPARDPPARGPPARAMAPTTP53
SCHEMBL10219897 0.87 PPARD (0.67) PPARDPPARGPPARAPCSK9
SCHEMBL10271394 0.86 PPARD (0.51) PPARDPPARGPPARAPCSK9MAPT
SCHEMBL10219915 0.85 PPARD (0.71) PPARDPPARGPPARAMAPTTP53

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.