SCHEMBL10220141

SCHEMBL10220141

O=C(O)c1ccc(OCCC2CCN(c3nc4ccc(Cl)cc4s3)CC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 13/20 0.72
PPARG P37231 11/20 0.72
PPARA Q07869 6/20 0.71
NPC1 O15118 5/20 0.54
RAB9A P51151 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
MITF O75030 1/20 0.54
TP53 P04637 1/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
CYP2C9 P11712 2/20 0.51

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
SCHEMBL10220133 0.91 PPARD (0.59) PPARDPPARGPPARANPC1RAB9A
SCHEMBL334676 0.90 PPARD (0.79) PPARDPPARGPPARANPC1RAB9A
SCHEMBL10220145 0.89 PPARD (0.82) PPARDPPARGPPARACYP2C9
SCHEMBL10219861 0.89 PPARG (0.69) PPARDPPARGPPARANPC1RAB9A
SCHEMBL10220147 0.88 PPARD (0.72) PPARDPPARGPPARASMN1; SMN2TP53
SCHEMBL10220143 0.87 PPARD (0.79) PPARDPPARGPPARANPC1RAB9A
SCHEMBL14144147 0.87 PPARD (0.71) PPARDPPARGPPARANPC1RAB9A
SCHEMBL10219862 0.85 PPARD (0.69) PPARDPPARGPPARANPC1RAB9A
SCHEMBL10220156 0.85 PPARD (0.85) PPARDPPARGPPARACYP2C9
SCHEMBL10220161 0.85 PPARD (0.63) PPARDPPARGPPARANPC1RAB9A

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.