SCHEMBL4430837

SCHEMBL4430837

O=C(O)Cc1cccc(S(=O)(=O)c2cccc(-c3cccc(OC(F)(F)F)c3)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.48
THRB P10828 1/20 0.48
SLC13A5 Q86YT5 1/20 0.48
PTGES2 Q9H7Z7 2/20 0.46
NAMPT P43490 3/20 0.46
FFAR1 O14842 2/20 0.45
FFAR4 Q5NUL3 1/20 0.45
MME P08473 1/20 0.44
RORC P51449 1/20 0.44
KAT6A Q92794 1/20 0.44
SERPINE1 P05121 1/20 0.44
CTSA P10619 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
DHODH Q02127 1/20 0.42

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
SCHEMBL4430845 0.92 PTGDR2 (0.46) THRATHRBSLC13A5FFAR1MME
SCHEMBL4430186 0.88 THRA (0.46) THRATHRBSLC13A5PTGES2NAMPT
SCHEMBL23296153 0.87 SLC13A5 (0.56) THRATHRBSLC13A5FFAR1FFAR4
SCHEMBL5122508 0.86 RXRA (0.45) THRATHRBSLC13A5PTGES2NAMPT
SCHEMBL5131904 0.85 THRA (0.43) THRATHRBSLC13A5PTGES2NAMPT
SCHEMBL5122627 0.84 THRA (0.42) THRATHRBSLC13A5PTGES2NAMPT
SCHEMBL4437946 0.84 THRA (0.58) THRATHRBSLC13A5FFAR1FFAR4
SCHEMBL5128410 0.83 PTGDR2 (0.48) NAMPTFFAR1PTGDR2
SCHEMBL4428876 0.82 ABCC4 (0.51) NAMPTFFAR1PTGDR2
SCHEMBL761677 0.82 MAPK14 (0.54) THRATHRBSLC13A5FFAR1FFAR4

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 5 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
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 THRA 126/4885THRB 130/4885SLC13A5 3682/4885

“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.