SCHEMBL4677435

SCHEMBL4677435

COc1cc(SC#N)c(C)cc1OCc1sc(-c2ccc(C(F)(F)F)cc2)nc1C

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 19/20 0.52
PPARA Q07869 15/20 0.50
PPARG P37231 10/20 0.50
FFAR1 O14842 2/20 0.49
MAPT P10636 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
SCHEMBL4677337 0.90 PPARD (0.54) PPARDPPARAPPARGFFAR1MAPT
SCHEMBL4677389 0.83 PPARD (0.56) PPARDPPARAPPARGFFAR1MAPT
SCHEMBL4677201 0.83 PPARD (0.59) PPARDPPARAPPARGFFAR1MAPT
SCHEMBL4677706 0.82 PPARD (0.53) PPARDPPARAPPARGFFAR1MAPT
SCHEMBL4677207 0.81 PPARD (0.52) PPARDPPARAPPARGFFAR1MAPT
SCHEMBL4677332 0.79 PPARD (0.56) PPARDPPARAPPARGFFAR1MAPT
SCHEMBL14102381 0.78 PPARD (0.43) PPARDPPARAPPARGFFAR1MAPT
SCHEMBL4677174 0.78 PPARD (0.72) PPARDPPARAPPARGFFAR1MAPT
SCHEMBL4674754 0.77 PPARD (0.61) PPARDPPARAPPARGFFAR1MAPT
SCHEMBL3538562 0.77 PPARD (0.59) PPARDPPARAPPARGFFAR1

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 2 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
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.