SCHEMBL334703

SCHEMBL334703

COC[C@@H]1CN(Cc2cccc(CC(=O)O)c2)CCN1c1nc2ccc(C(F)(F)F)cc2s1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 17/20 0.72
PPARG P37231 14/20 0.72
PPARA Q07869 13/20 0.72
CSNK1D P48730 2/20 0.43
CYP2C9 P11712 1/20 0.41

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
SCHEMBL334704 1.00 PPARD (0.72) PPARDPPARGPPARACSNK1DCYP2C9
SCHEMBL10221823 0.92 PPARD (0.84) PPARDPPARGPPARACYP2C9
SCHEMBL10220469 0.91 PPARD (0.85) PPARDPPARGPPARACSNK1DCYP2C9
SCHEMBL10220482 0.91 PPARD (0.85) PPARDPPARGPPARACSNK1DCYP2C9
SCHEMBL10221532 0.91 PPARD (0.64) PPARDPPARGPPARACSNK1D
SCHEMBL10220511 0.91 PPARD (0.76) PPARDPPARGPPARACSNK1D
SCHEMBL10220519 0.91 PPARD (0.76) PPARDPPARGPPARACSNK1D
SCHEMBL10221815 0.90 PPARD (0.60) PPARDPPARGPPARACSNK1DCYP2C9
SCHEMBL10271971 0.89 PPARD (0.58) PPARDPPARGPPARACSNK1D
SCHEMBL10221496 0.89 PPARD (0.73) PPARDPPARGPPARACSNK1D

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.