SCHEMBL4463684

SCHEMBL4463684

CCCc1cc(SC(F)(F)F)ccc1OCCCI

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.50
PPARA Q07869 9/20 0.50
PPARD Q03181 8/20 0.50
NR1H2 P55055 5/20 0.36
NR1H3 Q13133 5/20 0.36
PLA2G2D Q9UNK4 1/20 0.34
PTPRZ1 P23471 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL4455338 0.78 PPARG (0.45) PPARGPPARAPPARDPTPRZ1SMN1; SMN2
SCHEMBL4452067 0.74 PPARG (0.43) PPARGPPARAPPARDSMN1; SMN2MEN1
SCHEMBL14850364 0.71 THRA (0.42) PPARGPPARAPPARDPTPRZ1SMN1; SMN2
SCHEMBL4456825 0.71 ALOX5 (0.43) PPARGPPARAPPARDPTPRZ1SMN1; SMN2
SCHEMBL17354118 0.69 PTPRZ1 (0.39) PPARGPPARAPPARDPTPRZ1SMN1; SMN2
SCHEMBL8777238 0.68 LTB4R (0.44) PPARGPPARAPPARDPLA2G2DSMN1; SMN2
SCHEMBL13699 0.67 SMN1; SMN2 (0.41) PPARGPPARAPPARDPTPRZ1SMN1; SMN2
SCHEMBL8777252 0.67 PPARD (0.43) PPARGPPARAPPARDPLA2G2DSMN1; SMN2
SCHEMBL9821737 0.66 PLA2G2D (0.42) PPARGPPARAPPARDPLA2G2DSMN1; SMN2
SCHEMBL16479589 0.66 PTPRZ1 (0.61) PPARGPPARAPTPRZ1RAB9A

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-7524882-B2 PPAR alpha selective compounds for the treatment of dyslipidemia and other lipid disorders MERCK & CO., INC. (US) 2009-04-28 US disclosed
EP-1539136-B1 PPAR ALPHA SELECTIVE COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER LIPID DISORDERS MERCK & CO INC (US) 2008-07-09 EP disclosed
EP-1539136-A4 PPAR ALPHA SELECTIVE COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER LIPID DISORDERS MERCK & CO INC (US) 2006-10-18 EP disclosed
US-20050228044-A1 Ppar alpha selective compounds for the treatment of dyslipidemia and other lipid disorders MERCK SHARP & DOHME CORP. 2005-10-13 US disclosed
EP-1539136-A2 PPAR ALPHA SELECTIVE COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER LIPID DISORDERS Merck & Co., Inc. (US) 2005-06-15 EP disclosed
WO-2004010936-A2 PPAR ALPHA SELECTIVE COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER LIPID DISORDERS MERCK & CO., INC. (US) 2004-02-05 WO 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-20050228044-A1 Ppar alpha selective compounds for the treatment of dyslipidemia and other lipid disorders PPARD, PPARA, PPARG PPARG 3/4885PPARA 2/4885PPARD 1/4885

“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.