SCHEMBL3036876

SCHEMBL3036876

COc1ccc2c(c1)c(CCC(=O)O)cn2S(=O)(=O)c1ccc(CNc2ccc3ncccc3c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 4/20 0.62
▸ PPARD Q03181 4/20 0.62
▸ PPARA Q07869 4/20 0.62
▸ HTR6 P50406 16/20 0.51
▸ DRD2 P14416 2/20 0.47
▸ HTR7 P34969 2/20 0.47
▸ HTR1A P08908 1/20 0.47
▸ HTR1D P28221 1/20 0.47
▸ HTR1B P28222 1/20 0.47
▸ HTR1E P28566 1/20 0.47
▸ HTR1F P30939 1/20 0.47
▸ DRD3 P35462 1/20 0.47

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
SCHEMBL3025310 0.94 PPARG (0.62) PPARGPPARDPPARAHTR6DRD2
SCHEMBL13946966 0.89 HTR6 (0.51) PPARGPPARDPPARAHTR6DRD2
SCHEMBL15242233 0.85 HTR6 (0.54) PPARGPPARDPPARAHTR6DRD2
SCHEMBL3036873 0.84 PPARG (0.64) PPARGPPARDPPARAHTR6DRD2
SCHEMBL3029543 0.83 PPARG (0.66) PPARGPPARDPPARAHTR6DRD2
SCHEMBL13946965 0.83 HTR6 (0.49) PPARGPPARDPPARAHTR6DRD2
SCHEMBL3029874 0.80 PPARG (0.65) PPARGPPARDPPARAHTR6DRD2
SCHEMBL3025307 0.79 PPARG (0.64) PPARGPPARDPPARAHTR6DRD2
SCHEMBL13219226 0.79 HDAC6 (0.43) HTR6
Indeglitazar SCHEMBL3019199 0.79 PPARG (1.00) 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 41 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-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
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-7723374-B2 PPAR active compounds PLEXXIKON, INC. (US) 2010-05-25 — — 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
WO-2007030559-A2 1, 3-DISUBSTITUTED INDOLE DERIVATIVES FOR USE AS PPAR MODULATORS PLEXXIKON, INC. (US) 2007-03-15 — — WO 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 (4 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

“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.

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