SCHEMBL10220177

SCHEMBL10220177

O=C(O)Cc1cccc(OCCN2CCCN(c3nc4ccc(C(F)(F)F)cc4s3)CC2)c1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 18/20 0.59
PPARG P37231 13/20 0.59
PPARA Q07869 12/20 0.59
CYP2C9 P11712 1/20 0.53
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
CSNK1D P48730 1/20 0.46

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
SCHEMBL10271394 0.90 PPARD (0.51) PPARDPPARGPPARACYP2C9KDM4E
SCHEMBL10220168 0.88 PPARD (0.71) PPARDPPARGPPARACYP2C9
SCHEMBL10220182 0.86 PPARD (0.73) PPARDPPARGPPARA
SCHEMBL10220390 0.86 PPARD (0.75) PPARDPPARGPPARAKMT2A
SCHEMBL10220174 0.85 PPARD (0.79) PPARDPPARGPPARACYP2C9CSNK1D
SCHEMBL10220166 0.83 PPARD (0.78) PPARDPPARGPPARA
SCHEMBL10220629 0.82 PPARD (0.80) PPARDPPARGPPARAKMT2ACSNK1D
SCHEMBL10219908 0.80 PPARD (0.60) PPARDPPARGPPARACYP2C9GAA
SCHEMBL10221451 0.79 PPARD (0.82) PPARDPPARGPPARACYP2C9
SCHEMBL10271204 0.78 PPARD (0.93) 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 4 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

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.