SCHEMBL5658861

SCHEMBL5658861

O=C(O)CCc1cn(Cc2cnc(-c3ccc(C(F)(F)F)cc3)s2)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.46
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
GAA P10253 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
AKR1A1 P14550 1/20 0.43
AKR1B1 P15121 1/20 0.43
PPARD Q03181 3/20 0.41
PLK1 P53350 2/20 0.41
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
PLA2G4A P47712 1/20 0.40
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
YES1 P07947 1/20 0.40

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
SCHEMBL14605643 0.89 PPARD (0.41) HTR6ALDH1A1CYP1A2CYP3A4GAA
SCHEMBL5641773 0.83 HTR6 (0.62) HTR6ALDH1A1CYP1A2CYP3A4GAA
SCHEMBL5657706 0.82 PPARD (0.55) HTR6MAPTAKR1A1AKR1B1PPARD
SCHEMBL5662461 0.78 HTR6 (0.44) HTR6ALDH1A1CYP1A2CYP3A4GAA
SCHEMBL5640371 0.76 HTR6 (0.56) HTR6ALDH1A1CYP1A2CYP3A4GAA
SCHEMBL5638665 0.73 FFAR1 (0.50) HTR6ALDH1A1CYP1A2CYP3A4GAA
SCHEMBL2006750 0.72 PLA2G4A (0.68) HTR6ALDH1A1MAPTPLK1PLA2G4A
SCHEMBL6489153 0.72 PPARD (0.53) HTR6ALDH1A1AKR1A1AKR1B1PPARD
SCHEMBL5802889 0.72 PPARD (0.54) HTR6ALDH1A1CYP1A2CYP3A4GAA
SCHEMBL5661290 0.71 PPARD (0.55) MAPTAKR1A1AKR1B1PPARDPPARG

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 HTR6 178/4885ALDH1A1 277/4885CYP1A2 350/4885

“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.