SCHEMBL4431713

SCHEMBL4431713

O=C(O)Cc1cccc(S(=O)(=O)c2cccc(-c3ccc(C(F)(F)F)cc3Cl)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.50
PSEN2 P49810 1/20 0.50
APH1B Q8WW43 1/20 0.50
NCSTN Q92542 1/20 0.50
APH1A Q96BI3 1/20 0.50
PSENEN Q9NZ42 1/20 0.50
MRGPRX4 Q96LA9 2/20 0.47
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
PTGDR2 Q9Y5Y4 8/20 0.46
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
SHMT1 P34896 1/20 0.43
SHMT2 P34897 1/20 0.43
FFAR1 O14842 1/20 0.41
CNR1 P21554 1/20 0.41
PPARD Q03181 2/20 0.41
POLB P06746 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL4434080 0.88 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4441488 0.88 THRB (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4432066 0.85 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5129446 0.84 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4441503 0.81 THRB (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4427555 0.79 FFAR1 (0.62) THRATHRBSHMT1SHMT2FFAR1
SCHEMBL4440778 0.79 SHMT1 (0.48) PTGDR2SHMT1SHMT2FFAR1CNR1
SCHEMBL4427575 0.78 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4440053 0.76 SUCNR1 (0.50) PTGDR2SHMT1SHMT2FFAR1
SCHEMBL4429898 0.76 PTGDR2 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A

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
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 PSEN1 3062/4885PSEN2 3330/4885APH1B 1409/4885

“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.