SCHEMBL5639686

SCHEMBL5639686

COC(=O)Cc1csc2cc(OCc3ccccc3OCc3ccc(C(F)(F)F)cc3)c(C)cc12

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 12/20 0.68
PPARA Q07869 9/20 0.68
PPARG P37231 7/20 0.68
MRGPRX4 Q96LA9 3/20 0.40
FFAR4 Q5NUL3 3/20 0.40
FFAR1 O14842 2/20 0.40
FFAR2 O15552 1/20 0.40
PTPRC P08575 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPRB P23467 1/20 0.38
PTPN6 P29350 1/20 0.38
PTPN11 Q06124 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38

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
SCHEMBL5639466 0.92 PPARD (0.80) PPARDPPARAPPARGMRGPRX4FFAR4
SCHEMBL5640454 0.88 PPARD (0.67) PPARDPPARAPPARG
SCHEMBL5639705 0.78 PPARD (0.82) PPARDPPARAPPARGFFAR4FFAR1
SCHEMBL5639274 0.77 PPARA (0.81) PPARDPPARAPPARG
SCHEMBL5637580 0.75 PPARA (0.73) PPARDPPARAPPARGMRGPRX4
SCHEMBL5638003 0.74 PPARD (0.66) PPARDPPARAPPARGFFAR1
SCHEMBL5638682 0.72 PPARD (0.44) PPARDPPARAPPARG
SCHEMBL5641082 0.72 PPARA (0.60) PPARDPPARAPPARGMRGPRX4
SCHEMBL5512756 0.71 PPARD (0.65) PPARDPPARAPPARGFFAR4FFAR1
SCHEMBL31032329 0.71 RXRA (0.57) PPARDPPARGMRGPRX4PTPN2PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7244763-B2 Compounds that modulate PPAR activity and methods of preparation WARNER LAMBERT COMPANY LLC (US) 2007-07-17 US disclosed
US-7244763-B2 Compounds that modulate PPAR activity and methods of preparation WARNER LAMBERT COMPANY LLC (US) 2007-07-17 US disclosed
US-7244763-B2 Compounds that modulate PPAR activity and methods of preparation WARNER LAMBERT COMPANY LLC (US) 2007-07-17 US disclosed
EP-1620086-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS OF PREPARATION Warner-Lambert Company LLC (US) 2006-02-01 EP disclosed
US-6875780-B2 Compounds that modulate PPAR activity and methods for their preparation WARNER-LAMBERT COMPANY (US) 2005-04-05 US disclosed
WO-2004091604-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS OF PREPARATION WARNER-LAMBERT COMPANY LLC (US) 2004-10-28 WO disclosed
US-20040209936-A1 Compounds that modulate PPAR activity and methods of preparation BRATTON LARRY D (US) 2004-10-21 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-20040209936-A1 Compounds that modulate PPAR activity and methods of preparation PPARA, PPARG, PPARD PPARD 3/4885PPARA 1/4885PPARG 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.