Sugi Predict

Sugi Predict / Compounds / SCHEMBL3035871

SCHEMBL3035871

SCHEMBL3035871

COc1ccc(S(=O)(=O)n2cc(C=O)c3cc(OC)ccc32)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 16/20 0.59
▸ PPARG P37231 2/20 0.58
▸ PPARD Q03181 2/20 0.58
▸ PPARA Q07869 2/20 0.58
▸ KDM4E B2RXH2 1/20 0.56
▸ UBE2N P61088 1/20 0.56
▸ HTR1A P08908 1/20 0.51
▸ DRD2 P14416 1/20 0.51
▸ HTR1D P28221 1/20 0.51
▸ HTR1B P28222 1/20 0.51
▸ HTR1E P28566 1/20 0.51
▸ HTR1F P30939 1/20 0.51
▸ HTR7 P34969 1/20 0.51
▸ DRD3 P35462 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.50
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49

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
SCHEMBL4776849 0.95 KDM4E (0.64) HTR6PPARGPPARDPPARAKDM4E
SCHEMBL4778899 0.93 HTR6 (0.59) HTR6PPARGPPARDPPARAKDM4E
SCHEMBL4778240 0.93 HTR6 (0.59) HTR6PPARGPPARDPPARAKDM4E
SCHEMBL950533 0.92 HTR6 (0.63) HTR6PPARGPPARDPPARAKDM4E
SCHEMBL4778239 0.91 HTR6 (0.60) HTR6PPARGPPARDPPARAKDM4E
SCHEMBL4778090 0.90 KDM4E (0.52) HTR6PPARGPPARDPPARAKDM4E
SCHEMBL4776515 0.90 HTR6 (0.53) HTR6PPARGPPARDPPARAKDM4E
SCHEMBL5350714 0.90 ALDH1A1 (0.60) HTR6PPARGPPARDPPARAKDM4E
SCHEMBL947745 0.87 KDM4E (0.49) HTR6PPARGPPARDPPARAKDM4E
SCHEMBL30542060 0.87 KDM4E (0.76) HTR6KDM4EUBE2NCYP3A4

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 46 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 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-7723374-B2 PPAR active compounds PLEXXIKON, INC. (US) 2010-05-25 — — US disclosed
US-7723374-B2 PPAR active compounds PLEXXIKON, INC. (US) 2010-05-25 — — US disclosed
US-7202266-B2 PPAR active compounds PLEXXIKON, INC. (US) 2007-04-10 — — US disclosed
US-20070072904-A1 1-arylsulfone-substituted indole carboxylic acids or amides; peroxisome proliferator-activated receptor PPAR modulators; obesity, diabetes, cardiovascular disorders PLEXXIKON INC 2007-03-29 — — US disclosed
US-20070072904-A1 1-arylsulfone-substituted indole carboxylic acids or amides; peroxisome proliferator-activated receptor PPAR modulators; obesity, diabetes, cardiovascular disorders PLEXXIKON INC 2007-03-29 — — US disclosed
US-20070072904-A1 1-arylsulfone-substituted indole carboxylic acids or amides; peroxisome proliferator-activated receptor PPAR modulators; obesity, diabetes, cardiovascular disorders PLEXXIKON INC 2007-03-29 — — US disclosed
WO-2007030559-A2 1, 3-DISUBSTITUTED INDOLE DERIVATIVES FOR USE AS PPAR MODULATORS PLEXXIKON, INC. (US) 2007-03-15 — — WO disclosed
WO-2007030559-A2 1, 3-DISUBSTITUTED INDOLE DERIVATIVES FOR USE AS PPAR MODULATORS PLEXXIKON, INC. (US) 2007-03-15 — — WO disclosed
US-20050288354-A1 PPAR active compounds PLEXXIKON, INC. 2005-12-29 — — US disclosed
US-20050261357-A1 Indole derivatives and drugs containing the same MEIJI DAIRIES CORPORATION (JP) 2005-11-24 — — US disclosed
EP-1533299-A1 INDOLE DERIVATIVES AND DRUGS CONTAINING THE SAME Meiji Dairies Corporation (JP) 2005-05-25 — — EP disclosed
US-20050038246-A1 PPAR active compounds PLEXXIKON, INC. 2005-02-17 — — 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 (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-20070072904-A1 1-arylsulfone-substituted indole carboxylic acids or amides; peroxisome proliferator-activated receptor PPAR modulators; obesity, diabetes, cardiovascular disorders PPARG, PPARA, PPARD HTR6 178/4885PPARG 1/4885PPARD 3/4885
US-20050038246-A1 PPAR active compounds PPARG, PPARD, PPARA HTR6 1004/4885PPARG 1/4885PPARD 2/4885
US-20050261357-A1 Indole derivatives and drugs containing the same IDO1, TPH1, IDO2 HTR6 26/4885PPARG 4365/4885PPARD 4437/4885
US-20050288354-A1 PPAR active compounds PPARG, PPARD, PPARA HTR6 1004/4885PPARG 1/4885PPARD 2/4885
US-20100210036-A1 PPAR ACTIVE COMPOUNDS PPARG, PPARD, PPARA HTR6 1004/4885PPARG 1/4885PPARD 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.