SCHEMBL10219339

SCHEMBL10219339

CC(C)[C@@H]1CNCCN1c1nc2ccc(C(F)(F)F)cc2s1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 9/20 0.53
PPARG P37231 7/20 0.53
PPARA Q07869 6/20 0.53
SCN4A P35499 2/20 0.45
SCN9A Q15858 1/20 0.45
EPHX2 P34913 1/20 0.41
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 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
SCHEMBL10219346 1.00 PPARD (0.53) PPARDPPARGPPARASCN4ASCN9A
SCHEMBL10219295 0.86 PPARD (0.51) PPARDPPARGPPARASCN4ASCN9A
SCHEMBL10219283 0.86 PPARD (0.51) PPARDPPARGPPARASCN4ASCN9A
SCHEMBL10219278 0.86 PPARD (0.51) PPARDPPARGPPARASCN4ASCN9A
SCHEMBL13637862 0.85 PPARD (0.46) PPARDPPARGPPARASCN4ASCN9A
SCHEMBL10219358 0.85 PPARD (0.55) PPARDPPARGPPARASCN4ASCN9A
SCHEMBL10219368 0.85 PPARD (0.55) PPARDPPARGPPARASCN4ASCN9A
SCHEMBL10219305 0.83 PPARD (0.54) PPARDPPARGPPARASCN4ASCN9A
SCHEMBL10219307 0.83 PPARD (0.54) PPARDPPARGPPARASCN4ASCN9A
SCHEMBL10219326 0.81 PPARD (0.50) PPARDPPARGPPARA

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.