SCHEMBL10220186

SCHEMBL10220186

O=C(O)c1cccc(OCCC2CCN(c3nc4cc(Cl)ccc4s3)CC2)c1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 10/20 0.68
PPARG P37231 9/20 0.68
PPARA Q07869 6/20 0.68
NPC1 O15118 1/20 0.45
MITF O75030 1/20 0.45
TP53 P04637 1/20 0.45
NFKB1 P19838 1/20 0.45
RAB9A P51151 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CNR2 P34972 1/20 0.44
F10 P00742 1/20 0.42
NR1H4 Q96RI1 3/20 0.42
CYP2C9 P11712 1/20 0.42
DGAT1 O75907 2/20 0.41
NR4A2 P43354 2/20 0.41
NR4A1 P22736 1/20 0.41
NR4A3 Q92570 1/20 0.41

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
SCHEMBL334676 0.93 PPARD (0.79) PPARDPPARGPPARANPC1MITF
SCHEMBL10219914 0.89 PPARG (0.61) PPARDPPARGPPARANPC1TP53
SCHEMBL10220193 0.88 PPARD (0.87) PPARDPPARGPPARACYP2C9
SCHEMBL10220197 0.84 PPARG (0.63) PPARDPPARGPPARANPC1MITF
SCHEMBL10220131 0.84 PPARG (0.65) PPARDPPARGPPARANPC1MITF
SCHEMBL10220141 0.83 PPARD (0.72) PPARDPPARGPPARANPC1MITF
SCHEMBL10219915 0.83 PPARD (0.71) PPARDPPARGPPARANPC1TP53
SCHEMBL10271564 0.83 PPARD (0.62) PPARDPPARGPPARANPC1MITF
SCHEMBL334267 0.82 PPARG (0.70) PPARDPPARGPPARANPC1TP53
SCHEMBL10220144 0.81 PPARD (1.00) PPARDPPARGPPARACYP2C9

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.