SCHEMBL3030944

SCHEMBL3030944

COc1ccc2c(c1)c(CCC(=O)O)cn2S(=O)(=O)c1cccc(F)c1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.76
PPARD Q03181 4/20 0.76
PPARA Q07869 4/20 0.76
HTR6 P50406 16/20 0.62
DRD2 P14416 2/20 0.60
HTR1A P08908 1/20 0.60
HTR1D P28221 1/20 0.60
HTR1B P28222 1/20 0.60
HTR1E P28566 1/20 0.60
HTR1F P30939 1/20 0.60
HTR7 P34969 1/20 0.60
DRD3 P35462 1/20 0.60

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
SCHEMBL351967 0.94 PPARG (0.71) PPARGPPARDPPARAHTR6DRD2
SCHEMBL3035292 0.92 PPARG (0.82) PPARGPPARDPPARAHTR6DRD2
SCHEMBL3018940 0.91 PPARG (0.63) PPARGPPARDPPARAHTR6DRD2
SCHEMBL4804765 0.91 PPARG (0.80) PPARGPPARDPPARAHTR6DRD2
SCHEMBL4607265 0.90 PPARG (0.69) PPARGPPARDPPARAHTR6DRD2
SCHEMBL351460 0.90 PPARG (0.69) PPARGPPARDPPARAHTR6DRD2
SCHEMBL3034510 0.90 PPARG (0.89) PPARGPPARDPPARAHTR6DRD2
SCHEMBL3037164 0.89 PPARG (0.77) PPARGPPARDPPARAHTR6DRD2
SCHEMBL3029862 0.89 PPARG (0.88) PPARGPPARDPPARAHTR6DRD2
SCHEMBL351796 0.89 PPARG (0.65) PPARGPPARDPPARAHTR6DRD2

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1648867-B1 PPAR ACTIVE COMPOUNDS PLEXXIKON INC (US) 2013-09-04 EP claimed
US-7348338-B2 PPAR active compounds PLEXXIKON, INC. (US) 2008-03-25 US claimed
US-20070155818-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. 2007-07-05 US claimed
US-7202266-B2 PPAR active compounds PLEXXIKON, INC. (US) 2007-04-10 US claimed
EP-1648867-B1 PPAR ACTIVE COMPOUNDS PLEXXIKON INC (US) 2013-09-04 EP disclosed
EP-1648867-B1 PPAR ACTIVE COMPOUNDS PLEXXIKON INC (US) 2013-09-04 EP disclosed
US-8367828-B2 PPAR active compounds PLEXXIKON INC. (US) 2013-02-05 US disclosed
US-8367828-B2 PPAR active compounds PLEXXIKON INC. (US) 2013-02-05 US disclosed
US-8367828-B2 PPAR active compounds PLEXXIKON INC. (US) 2013-02-05 US disclosed
US-20100210036-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. 2010-08-19 US disclosed
US-20100210036-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. 2010-08-19 US disclosed
US-20100210036-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. 2010-08-19 US disclosed
US-20070149603-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. 2007-06-28 US disclosed
US-20070149603-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. 2007-06-28 US disclosed
US-7202266-B2 PPAR active compounds PLEXXIKON, INC. (US) 2007-04-10 US disclosed
US-7202266-B2 PPAR active compounds PLEXXIKON, INC. (US) 2007-04-10 US disclosed
EP-1648867-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2006-04-26 EP disclosed
US-20050288354-A1 PPAR active compounds PLEXXIKON, INC. 2005-12-29 US disclosed
US-20050038246-A1 PPAR active compounds PLEXXIKON, INC. 2005-02-17 US disclosed
WO-2005009958-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2005-02-03 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 (5 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-20050038246-A1 PPAR active compounds PPARG, PPARD, PPARA PPARG 1/4885PPARD 2/4885PPARA 3/4885
US-20050288354-A1 PPAR active compounds PPARG, PPARD, PPARA PPARG 1/4885PPARD 2/4885PPARA 3/4885
US-20070149603-A1 PPAR ACTIVE COMPOUNDS PPARG, PPARD, PPARA PPARG 1/4885PPARD 2/4885PPARA 3/4885
US-20100210036-A1 PPAR ACTIVE COMPOUNDS PPARG, PPARD, PPARA PPARG 1/4885PPARD 2/4885PPARA 3/4885
US-20070155818-A1 PPAR ACTIVE COMPOUNDS PPARG, PPARD, PPARA PPARG 1/4885PPARD 2/4885PPARA 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.