SCHEMBL334023

SCHEMBL334023

N#CC1CCN(c2nc3ccc(C(F)(F)F)cc3s2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.47
PPARD Q03181 4/20 0.47
PPARA Q07869 4/20 0.47
NPC1 O15118 7/20 0.46
RAB9A P51151 7/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
SCN4A P35499 2/20 0.46
EPHX2 P34913 1/20 0.46
ALDH1A1 P00352 2/20 0.45
PCSK9 Q8NBP7 1/20 0.44
CNR2 P34972 1/20 0.44
TP53 P04637 4/20 0.44
MITF O75030 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SCN9A Q15858 1/20 0.44
MAPT P10636 3/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 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
SCHEMBL14143675 0.84 SCN4A (0.52) PPARGPPARDPPARANPC1RAB9A
SCHEMBL4637169 0.83 PPARG (0.51) PPARGPPARDPPARANPC1RAB9A
SCHEMBL8308935 0.81 NPC1 (0.62) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL10219769 0.80 PPARG (0.51) PPARGPPARDPPARANPC1RAB9A
SCHEMBL10219864 0.80 PPARG (0.48) PPARGPPARDPPARANPC1RAB9A
SCHEMBL2710713 0.79 SCN4A (0.67) PPARGPPARDPPARANPC1RAB9A
SCHEMBL6125240 0.79 PPARG (0.56) PPARGPPARDPPARANPC1RAB9A
SCHEMBL8304492 0.77 RAB9A (0.70) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL334111 0.75 PPARD (0.47) PPARGPPARDPPARANPC1RAB9A
SCHEMBL10219273 0.75 SCN4A (0.62) PPARGPPARDPPARANPC1RAB9A

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 6 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-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
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.