SCHEMBL334394

SCHEMBL334394

COC(=O)Cc1cccc(OCCNC(C)C2CCN(c3nc4ccc(Cl)cc4s3)C2)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
TP53 P04637 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 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
SCHEMBL334517 0.94 PPARD (0.68) PPARDPPARGPPARACYP2C9
SCHEMBL333917 0.87 PPARD (0.62) PPARDPPARGPPARATP53SMN1; SMN2
SCHEMBL334392 0.86 PPARD (0.59) PPARDPPARGPPARATP53SMN1; SMN2
SCHEMBL334393 0.85 PPARD (0.66) PPARDPPARGPPARATP53SMN1; SMN2
SCHEMBL334835 0.83 PPARG (0.53) PPARDPPARGPPARASMN1; SMN2MAPT
SCHEMBL4637175 0.79 PPARD (0.66) PPARDPPARGPPARACYP2C9
SCHEMBL334515 0.78 PPARD (0.69) PPARDPPARGPPARACYP2C9
SCHEMBL10219908 0.78 PPARD (0.60) PPARDPPARGPPARAMAPTCYP2C9
SCHEMBL10219858 0.78 PPARD (0.81) PPARDPPARGPPARATP53MAPT
SCHEMBL334516 0.77 PPARD (0.78) 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 2 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-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.