SCHEMBL10219481

SCHEMBL10219481

CC(=O)Oc1cc(C)cc(CN2CCCN(c3nc4cc(F)c(C(F)(F)F)cc4s3)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 13/20 0.51
PPARG P37231 11/20 0.51
PPARA Q07869 9/20 0.51
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RAB9A P51151 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
MGLL Q99685 1/20 0.36
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL10220257 0.89 PPARD (0.56) PPARDPPARGPPARARAB9ACYP2C9
SCHEMBL10220098 0.87 PPARD (0.48) PPARDPPARGPPARAKDM4EALDH1A1
SCHEMBL10219448 0.86 PPARD (0.70) PPARDPPARGPPARAKDM4EALDH1A1
SCHEMBL10220584 0.86 PPARD (0.69) PPARDPPARGPPARAALDH1A1LMNA
SCHEMBL10219983 0.86 PPARD (0.52) PPARDPPARGPPARASMN1; SMN2RAB9A
SCHEMBL10219482 0.85 PPARD (0.58) PPARDPPARGPPARA
SCHEMBL10219580 0.85 PPARD (0.57) PPARDPPARGPPARAKDM4EMAPT
SCHEMBL10219489 0.84 PPARD (0.48) PPARDPPARGPPARAMAPT
SCHEMBL10219483 0.83 PPARD (0.46) PPARDPPARGPPARA
SCHEMBL10219446 0.83 PPARD (0.74) PPARDPPARGPPARAMAPT

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 5 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-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.