SCHEMBL334393

SCHEMBL334393

COC(=O)Cc1cccc(OCCNCCC2CCN(c3nc4ccc(Cl)cc4s3)C2)c1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 17/20 0.66
PPARG P37231 14/20 0.66
PPARA Q07869 9/20 0.66
TP53 P04637 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 2/20 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
SCHEMBL334516 0.93 PPARD (0.78) PPARDPPARGPPARACYP2C9
SCHEMBL333917 0.87 PPARD (0.62) PPARDPPARGPPARATP53SMN1; SMN2
SCHEMBL334394 0.85 PPARD (0.59) PPARDPPARGPPARATP53SMN1; SMN2
SCHEMBL334834 0.85 PPARG (0.62) PPARDPPARGPPARASMN1; SMN2MAPT
SCHEMBL334392 0.82 PPARD (0.59) PPARDPPARGPPARATP53SMN1; SMN2
SCHEMBL10219858 0.81 PPARD (0.81) PPARDPPARGPPARATP53MAPT
SCHEMBL10219862 0.80 PPARD (0.69) PPARDPPARGPPARATP53SMN1; SMN2
SCHEMBL10220144 0.80 PPARD (1.00) PPARDPPARGPPARACYP2C9
SCHEMBL10219871 0.79 PPARD (0.63) PPARDPPARGPPARASMN1; SMN2MAPT
SCHEMBL334517 0.78 PPARD (0.68) 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 3 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
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.