SCHEMBL5662325

SCHEMBL5662325

CCCCc1ccc(S(=O)(=O)n2cc(CCC(=O)O)c3ccc(OCC)cc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 5/20 0.56
▸ PPARD Q03181 5/20 0.56
▸ PPARA Q07869 5/20 0.56
▸ PSEN1 P49768 2/20 0.51
▸ PSEN2 P49810 2/20 0.51
▸ APH1B Q8WW43 2/20 0.51
▸ NCSTN Q92542 2/20 0.51
▸ APH1A Q96BI3 2/20 0.51
▸ PSENEN Q9NZ42 2/20 0.51
▸ PLA2G4A P47712 3/20 0.47
▸ HTR6 P50406 5/20 0.46
▸ SQSTM1 Q13501 1/20 0.42
▸ KEAP1 Q14145 1/20 0.42
▸ NFE2L2 Q16236 1/20 0.42
▸ RORC P51449 1/20 0.41
▸ LTB4R Q15722 1/20 0.41
▸ LTB4R2 Q9NPC1 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL3029582 0.93 PPARG (0.67) PPARGPPARDPPARAPSEN1PSEN2
SCHEMBL5661575 0.92 PPARG (0.58) PPARGPPARDPPARAPSEN1PSEN2
SCHEMBL14572765 0.90 PPARG (0.56) PPARGPPARDPPARAPSEN1PSEN2
SCHEMBL14605844 0.88 PPARG (0.60) PPARGPPARDPPARAPSEN1PSEN2
SCHEMBL5659835 0.88 PPARG (0.72) PPARGPPARDPPARAHTR6
SCHEMBL14605837 0.87 PPARG (0.59) PPARGPPARDPPARAPLA2G4AHTR6
SCHEMBL5661657 0.87 PPARG (0.59) PPARGPPARDPPARAPSEN1PSEN2
SCHEMBL5660893 0.87 PPARG (0.59) PPARGPPARDPPARAPSEN1PSEN2
SCHEMBL5661750 0.87 PPARG (0.58) PPARGPPARDPPARAPSEN1PSEN2
SCHEMBL4620882 0.86 PPARG (0.68) PPARGPPARDPPARAHTR6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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.

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