Sugi Predict

Sugi Predict / Compounds / SCHEMBL4607265

SCHEMBL4607265

SCHEMBL4607265

COc1ccc2c(c1)c(CCC(=O)O)cn2S(=O)(=O)c1cccc(Oc2ccc(F)cc2)c1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 4/20 0.69
▸ PPARD Q03181 4/20 0.69
▸ PPARA Q07869 4/20 0.69
▸ HTR6 P50406 16/20 0.57
▸ HTR1A P08908 1/20 0.55
▸ DRD2 P14416 1/20 0.55
▸ HTR1D P28221 1/20 0.55
▸ HTR1B P28222 1/20 0.55
▸ HTR1E P28566 1/20 0.55
▸ HTR1F P30939 1/20 0.55
▸ HTR7 P34969 1/20 0.55
▸ DRD3 P35462 1/20 0.55
▸ CYP3A4 P08684 2/20 0.51
▸ CYP2D6 P10635 2/20 0.51

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
SCHEMBL4606112 0.94 PPARG (0.78) PPARGPPARDPPARAHTR6HTR1A
SCHEMBL3036456 0.94 PPARG (0.74) PPARGPPARDPPARAHTR6HTR1A
SCHEMBL4606080 0.92 PPARG (0.71) PPARGPPARDPPARAHTR6HTR1A
SCHEMBL3035292 0.92 PPARG (0.82) PPARGPPARDPPARAHTR6HTR1A
SCHEMBL4606292 0.91 PPARG (0.67) PPARGPPARDPPARAHTR6HTR1A
SCHEMBL4605026 0.91 PPARG (0.69) PPARGPPARDPPARAHTR6HTR1A
SCHEMBL3030944 0.90 PPARG (0.76) PPARGPPARDPPARAHTR6HTR1A
SCHEMBL4606078 0.90 PPARG (0.55) PPARGPPARDPPARAHTR6HTR1A
SCHEMBL351460 0.89 PPARG (0.69) PPARGPPARDPPARAHTR6HTR1A
SCHEMBL3029862 0.89 PPARG (0.88) PPARGPPARDPPARAHTR6HTR1A

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
EP-1943245-A2 1,3-DISUBSTITUTED INDOLE DERIVATIVES FOR USE AS PPAR MODULATORS PLEXXIKON, INC. (US) 2008-07-16 — — EP 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

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-20070072904-A1 1-arylsulfone-substituted indole carboxylic acids or amides; peroxisome proliferator-activated receptor PPAR modulators; obesity, diabetes, cardiovascular disorders PPARG, PPARA, PPARD PPARG 1/4885PPARD 3/4885PPARA 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.