SCHEMBL4441126

SCHEMBL4441126

O=S(O)c1cccc(-c2ccc(C(F)(F)F)cc2F)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 4/20 0.49
AKR1C2 P52895 4/20 0.49
APP P05067 2/20 0.46
ALOX5AP P20292 7/20 0.42
FEN1 P39748 7/20 0.42
KIF11 P52732 1/20 0.38
CDC14B O60729 1/20 0.38
CDC14A Q9UNH5 1/20 0.38
MPL P40238 1/20 0.38
RORC P51449 1/20 0.37
RORB Q92753 1/20 0.37
GRM2 Q14416 1/20 0.37
PARP10 Q53GL7 1/20 0.36
PARP11 Q9NR21 1/20 0.36
AKR1C1 Q04828 1/20 0.36

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
SCHEMBL14068424 0.81 KIF11 (0.50) KIF11
SCHEMBL4440025 0.80 KIF11 (0.48) KIF11
SCHEMBL1825332 0.79 CES2 (0.50)
SCHEMBL1584197 0.77 CES2 (0.48)
SCHEMBL30097986 0.77 CES2 (0.53)
SCHEMBL5121382 0.76 APP (0.57) AKR1C3AKR1C2APPALOX5APFEN1
SCHEMBL20557329 0.75 TSHR (0.56) AKR1C3AKR1C2APPALOX5APFEN1
SCHEMBL22421796 0.75 AKR1C3 (0.50) AKR1C3AKR1C2APPALOX5APFEN1
SCHEMBL21571884 0.74 AKR1C3 (0.56) AKR1C3AKR1C2APPALOX5APFEN1
SCHEMBL31398132 0.72 AKR1C3 (0.55) AKR1C3AKR1C2APPALOX5APFEN1

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
EP-2121591-A2 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2009-11-25 EP disclosed
WO-2008109697-A2 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2008-09-12 WO disclosed
US-20080221127-A1 peroxisome proliferator-activated receptor agonists; congestive heart failure, atherosclerosis, arteriosclerosis, obesity, hyperlipidemia, hypoalphalipoproteinemia, Syndrome X, diabetes, insulin resistance PLEXXIKON INC 2008-09-11 US disclosed
US-20080221127-A1 peroxisome proliferator-activated receptor agonists; congestive heart failure, atherosclerosis, arteriosclerosis, obesity, hyperlipidemia, hypoalphalipoproteinemia, Syndrome X, diabetes, insulin resistance PLEXXIKON INC 2008-09-11 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-20080221127-A1 peroxisome proliferator-activated receptor agonists; congestive heart failure, atherosclerosis, arteriosclerosis, obesity, hyperlipidemia, hypoalphalipoproteinemia, Syndrome X, diabetes, insulin resistance PPARA, PPARG, PPARD AKR1C3 1875/4885AKR1C2 1107/4885APP 2476/4885

“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.