SCHEMBL4432041

SCHEMBL4432041

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.47
KAT6A Q92794 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4D Q08499 1/20 0.45
CTBP2 P56545 1/20 0.44
RORC P51449 2/20 0.44
NR1H4 Q96RI1 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
DAGLA Q9Y4D2 1/20 0.42
AOC3 Q16853 1/20 0.41
FLT1 P17948 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
SCHEMBL4435659 0.90 SHMT1 (0.49) PTGDR2KAT6APDE4DGRIN2DGRIN3B
SCHEMBL4428876 0.88 ABCC4 (0.51) PTGDR2NR1H4GRIN2DGRIN3BGRIN1
SCHEMBL4208044 0.85 GRIN2D (0.55) CYP3A4CYP2C19PDE4BPDE4DCTBP2
SCHEMBL4434979 0.84 DAGLA (0.43) PTGDR2RORCDAGLA
SCHEMBL4440053 0.84 SUCNR1 (0.50) PTGDR2RORC
SCHEMBL4440778 0.84 SHMT1 (0.48) PTGDR2HTR6
SCHEMBL4440751 0.83 KAT6A (0.45) PTGDR2KAT6AGRIN2DGRIN3BGRIN1
SCHEMBL4437914 0.82 MMP1 (0.50) PTGDR2KAT6AGRIN2DGRIN3BGRIN1
SCHEMBL14033126 0.82 HTR6 (0.60) PTGDR2CYP2C19HTR6
SCHEMBL4432066 0.80 PSEN1 (0.48) PTGDR2CYP2C19

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 626/4885KAT6A 2261/4885CYP3A4 3445/4885

“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.