SCHEMBL5657706

SCHEMBL5657706

Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1Cn1cc(CCC(=O)O)c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 11/20 0.55
PPARA Q07869 9/20 0.55
PPARG P37231 7/20 0.55
FFAR1 O14842 6/20 0.54
HTR6 P50406 1/20 0.47
AKR1A1 P14550 1/20 0.46
AKR1B1 P15121 1/20 0.46
MAPT P10636 1/20 0.44
PTPN1 P18031 1/20 0.44

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
SCHEMBL6489153 0.91 PPARD (0.53) PPARDPPARAPPARGFFAR1HTR6
SCHEMBL5661290 0.89 PPARD (0.55) PPARDPPARAPPARGFFAR1AKR1A1
SCHEMBL5660103 0.88 PPARD (0.54) PPARDPPARAPPARGFFAR1AKR1A1
SCHEMBL5660147 0.87 PPARD (0.59) PPARDPPARAPPARGFFAR1PTPN1
SCHEMBL5658861 0.82 HTR6 (0.46) PPARDPPARAPPARGFFAR1HTR6
SCHEMBL5641773 0.82 HTR6 (0.62) HTR6MAPT
SCHEMBL14605643 0.80 PPARD (0.41) PPARDPPARAPPARGFFAR1HTR6
SCHEMBL5659640 0.78 PPARD (0.49) PPARDPPARAPPARGFFAR1MAPT
SCHEMBL6502357 0.77 FFAR1 (0.48) PPARDPPARAPPARGFFAR1MAPT
SCHEMBL5662461 0.76 HTR6 (0.44) PPARDPPARAPPARGFFAR1HTR6

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 2 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

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 PPARD 3/4885PPARA 2/4885PPARG 1/4885

“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.