SCHEMBL10219877

SCHEMBL10219877

CCOC(=O)c1ccc(OCC2CCN(c3nc4ccc(Cl)cc4s3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.57
PPARD Q03181 6/20 0.57
PPARA Q07869 5/20 0.55
PCSK9 Q8NBP7 2/20 0.53
ALDH1A1 P00352 3/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
KDM4E B2RXH2 2/20 0.52
CYP2D6 P10635 1/20 0.52
HPGD P15428 1/20 0.52
NPC1 O15118 5/20 0.51
RAB9A P51151 4/20 0.51
TP53 P04637 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
MAPT P10636 3/20 0.50
GAA P10253 2/20 0.50
TSHR P16473 1/20 0.50
MGLL Q99685 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL10219861 0.91 PPARG (0.69) PPARGPPARDPPARAPCSK9ALDH1A1
SCHEMBL10219848 0.91 PPARG (0.59) PPARGPPARDPPARAPCSK9ALDH1A1
SCHEMBL10220133 0.88 PPARD (0.59) PPARGPPARDPPARACYP2C9NPC1
SCHEMBL10219857 0.85 PPARG (0.55) PPARGPPARDPPARAALDH1A1CYP2C9
SCHEMBL10219886 0.84 PPARD (0.61) PPARGPPARDPPARAPCSK9KDM4E
SCHEMBL10219879 0.82 PPARD (0.73) PPARGPPARDPPARAPCSK9ALDH1A1
SCHEMBL334267 0.82 PPARG (0.70) PPARGPPARDPPARAPCSK9ALDH1A1
SCHEMBL10220131 0.80 PPARG (0.65) PPARGPPARDPPARANPC1RAB9A
SCHEMBL10219841 0.80 PCSK9 (0.56) PPARGPPARDPPARAPCSK9ALDH1A1
SCHEMBL10220821 0.79 PPARD (0.85) PPARGPPARDPPARACYP2C9

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 PPARG 3/4885PPARD 1/4885PPARA 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.