SCHEMBL334757

SCHEMBL334757

CCCC(=O)Oc1cccc(OCCC2CCN(c3nc4ccc(Br)cc4s3)CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.57
PPARD Q03181 6/20 0.57
PPARA Q07869 5/20 0.57
RAB9A P51151 6/20 0.54
NPC1 O15118 6/20 0.49
MAPT P10636 6/20 0.48
TP53 P04637 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MAPK1 P28482 1/20 0.44
HTT P42858 2/20 0.43
ALDH1A1 P00352 1/20 0.43
STAT3 P40763 1/20 0.42

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
SCHEMBL334725 0.89 PPARG (0.58) PPARGPPARDPPARARAB9ANPC1
SCHEMBL334756 0.84 PPARG (0.66) PPARGPPARDPPARARAB9ANPC1
SCHEMBL10220197 0.84 PPARG (0.63) PPARGPPARDPPARARAB9ANPC1
SCHEMBL10219920 0.84 PPARG (0.57) PPARGPPARDPPARARAB9ANPC1
SCHEMBL10220203 0.83 PPARD (0.81) PPARGPPARDPPARARAB9ANPC1
SCHEMBL10271398 0.81 PPARG (0.63) PPARGPPARDPPARARAB9ANPC1
SCHEMBL335643 0.78 PPARD (0.62) PPARGPPARDPPARARAB9ANPC1
SCHEMBL10219921 0.77 PPARG (0.68) PPARGPPARDPPARANPC1MAPT
SCHEMBL10220199 0.76 PPARD (0.81) PPARGPPARDPPARARAB9ANPC1
SCHEMBL10271556 0.76 PPARG (0.64) PPARGPPARDPPARARAB9ANPC1

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 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.