SCHEMBL10219868

SCHEMBL10219868

COC(=O)CCc1ccc(OCCC2CCN(c3nc4ccc(Cl)cc4s3)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 14/20 0.65
PPARG P37231 10/20 0.65
PPARA Q07869 6/20 0.65
SMN1; SMN2 Q16637 2/20 0.51
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
NPC1 O15118 4/20 0.48
RAB9A P51151 2/20 0.48
CYP2C9 P11712 2/20 0.47

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
SCHEMBL10219862 0.92 PPARD (0.69) PPARDPPARGPPARASMN1; SMN2TP53
SCHEMBL10220147 0.91 PPARD (0.72) PPARDPPARGPPARASMN1; SMN2TP53
SCHEMBL10220145 0.85 PPARD (0.82) PPARDPPARGPPARACYP2C9
SCHEMBL10220141 0.84 PPARD (0.72) PPARDPPARGPPARASMN1; SMN2TP53
SCHEMBL10219865 0.83 PPARD (0.74) PPARDPPARGPPARASMN1; SMN2TP53
SCHEMBL14144147 0.83 PPARD (0.71) PPARDPPARGPPARASMN1; SMN2TP53
SCHEMBL10220146 0.82 PPARD (0.85) PPARDPPARGPPARACYP2C9
SCHEMBL10219861 0.82 PPARG (0.69) PPARDPPARGPPARASMN1; SMN2TP53
SCHEMBL10219888 0.79 PPARD (0.61) PPARDPPARGPPARASMN1; SMN2NPC1
SCHEMBL10220765 0.79 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 5 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
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.