SCHEMBL334392

SCHEMBL334392

CCN(CCOc1cccc(CC(=O)OC)c1)C1CCN(c2nc3ccc(Cl)cc3s2)C1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 18/20 0.59
PPARG P37231 15/20 0.59
PPARA Q07869 9/20 0.59
CYP2C9 P11712 2/20 0.45
TP53 P04637 2/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44

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
SCHEMBL334515 0.93 PPARD (0.69) PPARDPPARGPPARACYP2C9
SCHEMBL10271164 0.88 PPARD (0.54) PPARDPPARGPPARACYP2C9TP53
SCHEMBL10221055 0.86 PPARD (0.67) PPARDPPARGPPARACYP2C9
SCHEMBL334394 0.86 PPARD (0.59) PPARDPPARGPPARACYP2C9TP53
SCHEMBL334141 0.84 PPARG (0.48) PPARDPPARGPPARATP53MAPT
SCHEMBL333917 0.84 PPARD (0.62) PPARDPPARGPPARACYP2C9TP53
SCHEMBL334833 0.83 PPARD (0.53) PPARDPPARGPPARAMAPTSMN1; SMN2
SCHEMBL10221057 0.83 PPARD (0.69) PPARDPPARGPPARACYP2C9
SCHEMBL10221059 0.82 PPARD (0.68) PPARDPPARGPPARACYP2C9
SCHEMBL334393 0.82 PPARD (0.66) PPARDPPARGPPARACYP2C9TP53

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 7 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-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
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.