SCHEMBL334495

SCHEMBL334495

C[SiH2]OC(O[SiH2]C)C(C)(C)CCC1(C#N)CCN(c2nc3ccc(C(F)(F)F)cc3s2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 10/20 0.41
PPARG P37231 7/20 0.41
PPARA Q07869 7/20 0.41
CYP2C9 P11712 2/20 0.40
PCSK9 Q8NBP7 1/20 0.37
SCN4A P35499 1/20 0.36
SCN9A Q15858 1/20 0.36
CNR2 P34972 1/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
NFKB1 P19838 1/20 0.36
CYP2C19 P33261 1/20 0.36
NFKB2 Q00653 1/20 0.36

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
SCHEMBL334497 0.86 PPARD (0.43) PPARDPPARGPPARACYP2C9PCSK9
SCHEMBL334111 0.81 PPARD (0.47) PPARDPPARGPPARACYP2C9PCSK9
SCHEMBL334494 0.80 PPARD (0.44) PPARDPPARGPPARACYP2C9PCSK9
SCHEMBL4729062 0.73 PPARD (0.60) PPARDPPARGPPARACYP2C9CYP3A4
SCHEMBL334892 0.71 PPARD (0.78) PPARDPPARGPPARACYP2C9CYP3A4
SCHEMBL10221459 0.71 PPARD (0.65) PPARDPPARGPPARACYP2C9CYP3A4
SCHEMBL4637169 0.69 PPARG (0.51) PPARDPPARGPPARASCN4ASCN9A
SCHEMBL2710713 0.67 SCN4A (0.67) PPARDPPARGPPARASCN4ASCN9A
SCHEMBL6125240 0.67 PPARG (0.56) PPARDPPARGPPARASCN4ASCN9A
SCHEMBL334023 0.67 PPARG (0.47) PPARDPPARGPPARAPCSK9SCN4A

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 3 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
EP-1939189-A1 DERIVATIVE HAVING PPAR AGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2008-07-02 EP 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.