SCHEMBL4440751

SCHEMBL4440751

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 1/20 0.45
KDM4E B2RXH2 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PTGS2 P35354 1/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
HTR6 P50406 1/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.41
SRC P12931 1/20 0.41
DCLRE1B Q9H816 1/20 0.41
TAS2R14 Q9NYV8 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP7 P09237 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
SCHEMBL4437914 0.90 MMP1 (0.50) KAT6APTGS2GRIN2DGRIN3BGRIN1
SCHEMBL4428876 0.88 ABCC4 (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4428870 0.86 GRIN2D (0.41) PTGS2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13802492 0.85 GRIN2D (0.55) KDM4ESMN1; SMN2PTGS2GRIN2DGRIN3B
SCHEMBL4438508 0.84 PTGER2 (0.46) KAT6APTGDR2MMP1MMP2MMP3
SCHEMBL4433405 0.84 PTGDR2 (0.43) PTGDR2PTGDRFFAR1
SCHEMBL4432041 0.83 PTGDR2 (0.47) KAT6AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4431262 0.83 FFAR1 (0.52) KAT6AHTR6FFAR1
SCHEMBL4432066 0.83 PSEN1 (0.48) PTGDR2MMP1MMP2MMP9MMP13
SCHEMBL4435659 0.82 SHMT1 (0.49) KAT6AGRIN2DGRIN3BGRIN1GRIN2A

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 KAT6A 2261/4885KDM4E 4785/4885SMN1; SMN2 4624/4885

“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.