SCHEMBL4430845

SCHEMBL4430845

O=C(O)Cc1cccc(S(=O)(=O)c2cccc(-c3ccc(OC(F)(F)F)cc3)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.46
SLC13A5 Q86YT5 1/20 0.45
NR1H2 P55055 2/20 0.45
NR1H3 Q13133 2/20 0.45
RXRA P19793 1/20 0.45
SERPINE1 P05121 4/20 0.44
FFAR1 O14842 1/20 0.44
NR1H4 Q96RI1 2/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
PTGER4 P35408 1/20 0.42
MME P08473 1/20 0.41

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
SCHEMBL4430837 0.92 THRA (0.48) PTGDR2SLC13A5SERPINE1FFAR1THRA
SCHEMBL4430009 0.88 RXRA (0.45) PTGDR2SLC13A5RXRAFFAR1THRA
SCHEMBL23972417 0.88 NR1H2 (0.53) SLC13A5NR1H2NR1H3RXRASERPINE1
SCHEMBL5128410 0.87 PTGDR2 (0.48) PTGDR2FFAR1MRGPRX4
SCHEMBL5052554 0.87 RXRA (0.47) PTGDR2SLC13A5NR1H2NR1H3RXRA
SCHEMBL5129469 0.85 FFAR1 (0.42) PTGDR2SLC13A5NR1H2NR1H3RXRA
SCHEMBL4440857 0.84 MMP2 (0.53) PTGDR2FFAR1
SCHEMBL5129446 0.84 PSEN1 (0.56) NR1H2NR1H3RXRAFFAR1NR1H4
SCHEMBL5132494 0.84 FFAR1 (0.43) PTGDR2SLC13A5NR1H2NR1H3RXRA
SCHEMBL4428876 0.84 ABCC4 (0.51) PTGDR2FFAR1NR1H4

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 PTGDR2 626/4885SLC13A5 3682/4885NR1H2 5/4885

“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.