SCHEMBL4434080

SCHEMBL4434080

O=C(O)Cc1cccc(S(=O)(=O)c2cccc(-c3ccc(C(F)(F)F)cc3F)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.51
PSEN2 P49810 1/20 0.51
APH1B Q8WW43 1/20 0.51
NCSTN Q92542 1/20 0.51
APH1A Q96BI3 1/20 0.51
PSENEN Q9NZ42 1/20 0.51
PTGDR2 Q9Y5Y4 6/20 0.47
RXRA P19793 4/20 0.45
RXRB P28702 3/20 0.45
RXRG P48443 3/20 0.45
AKR1C3 P42330 2/20 0.45
AKR1C2 P52895 2/20 0.45
APP P05067 1/20 0.42
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
CYP2C9 P11712 2/20 0.40
TBXA2R P21731 2/20 0.40
PTGDR Q13258 2/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 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
SCHEMBL4431713 0.88 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4434437 0.87 PTGDR2 (0.44) PTGDR2AKR1C3AKR1C2APPCYP2C9
SCHEMBL4429898 0.87 PTGDR2 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4432066 0.86 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5129446 0.85 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4440778 0.84 SHMT1 (0.48) PTGDR2TBXA2R
SCHEMBL4431262 0.83 FFAR1 (0.52)
SCHEMBL4430126 0.81 FFAR1 (0.50) PTGDR2AKR1C3AKR1C2THRATHRB
SCHEMBL4430177 0.81 THRB (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4428862 0.80 FFAR1 (0.43) PTGDR2

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 6 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
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.