SCHEMBL335795

SCHEMBL335795

O=C(O)Cc1cccc(CNCCC2CCN(c3nc4ccc(Cl)cc4s3)CC2)c1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 14/20 0.72
PPARG P37231 11/20 0.72
PPARA Q07869 7/20 0.72
CYP2C9 P11712 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 1/20 0.48
NPC1 O15118 1/20 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
SCHEMBL334834 0.91 PPARG (0.62) PPARDPPARGPPARASMN1; SMN2MAPT
SCHEMBL10220809 0.89 PPARD (0.71) PPARDPPARGPPARACYP2C9MAPT
SCHEMBL27878983 0.85 PPARG (0.64) PPARDPPARGPPARASMN1; SMN2MAPT
SCHEMBL10220144 0.84 PPARD (1.00) PPARDPPARGPPARACYP2C9
SCHEMBL10220149 0.84 PPARD (0.73) PPARDPPARGPPARACYP2C9
SCHEMBL10221023 0.83 PPARD (0.61) PPARDPPARGPPARACYP2C9SMN1; SMN2
SCHEMBL334516 0.83 PPARD (0.78) PPARDPPARGPPARACYP2C9
SCHEMBL335796 0.83 PPARD (0.61) PPARDPPARGPPARASMN1; SMN2NPC1
SCHEMBL10220712 0.82 PPARD (0.84) PPARDPPARGPPARACYP2C9
SCHEMBL10220138 0.82 PPARD (0.68) PPARDPPARGPPARACYP2C9SMN1; SMN2

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.