SCHEMBL4677690

SCHEMBL4677690

COC(=O)C1(c2ccc(SCc3sc(-c4ccc(C(F)(F)F)cc4)nc3C)cc2)CCCC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 12/20 0.59
PPARA Q07869 12/20 0.59
PPARG P37231 7/20 0.59
FFAR1 O14842 5/20 0.44
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 1/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL4676867 0.96 PPARD (0.61) PPARDPPARAPPARGFFAR1ALDH1A1
SCHEMBL4676325 0.90 PPARD (0.64) PPARDPPARAPPARGFFAR1ALDH1A1
SCHEMBL4674174 0.86 PPARD (0.66) PPARDPPARAPPARGFFAR1ALDH1A1
SCHEMBL6240158 0.81 PPARD (0.66) PPARDPPARAPPARGFFAR1ALDH1A1
SCHEMBL6617267 0.80 PPARD (0.63) PPARDPPARAPPARGFFAR1ALDH1A1
SCHEMBL5640883 0.79 PPARD (0.44) PPARDPPARAPPARG
SCHEMBL3809841 0.78 PPARD (0.65) PPARDPPARAPPARGFFAR1ALDH1A1
SCHEMBL6235596 0.77 PPARD (0.72) PPARDPPARAPPARGFFAR1ALDH1A1
SCHEMBL4674102 0.77 PPARD (0.72) PPARDPPARAPPARGFFAR1ALDH1A1
SCHEMBL4674568 0.77 PPARD (0.61) PPARDPPARAPPARGFFAR1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1482935-B1 THIAZOLE AND OXAZOLE DERIVATIVES WHICH MODULATE PPAR ACTIVITY WARNER LAMBERT CO (US) 2008-08-20 EP disclosed
EP-1482935-B1 THIAZOLE AND OXAZOLE DERIVATIVES WHICH MODULATE PPAR ACTIVITY WARNER LAMBERT CO (US) 2008-08-20 EP disclosed
US-20030207924-A1 Compounds that modulate PPAR activity and methods of preparation CHENG XUE-MIN (US) 2003-11-06 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-20030207924-A1 Compounds that modulate PPAR activity and methods of preparation PPARA, PPARD, PPARG PPARD 2/4885PPARA 1/4885PPARG 3/4885

“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.