SCHEMBL4435659

SCHEMBL4435659

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHMT1 P34896 1/20 0.49
SHMT2 P34897 1/20 0.49
KAT6A Q92794 1/20 0.46
PTGDR2 Q9Y5Y4 3/20 0.46
ABCC4 O15439 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45
PTGS1 P23219 1/20 0.45
HTT P42858 1/20 0.45
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45
SUCNR1 Q9BXA5 1/20 0.44
ADAMTS5 Q9UNA0 1/20 0.44
MMP2 P08253 1/20 0.44

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
SCHEMBL4432041 0.90 PTGDR2 (0.47) KAT6APTGDR2GRIN2DGRIN3BGRIN1
SCHEMBL4428876 0.90 ABCC4 (0.51) PTGDR2ABCC4LMNAGAATSHR
SCHEMBL4437914 0.86 MMP1 (0.50) KAT6APTGDR2ABCC4LMNAGAA
SCHEMBL4213065 0.85 SHMT1 (0.62) SHMT1SHMT2PTGDR2ABCC4LMNA
SCHEMBL4430445 0.85 ACLY (0.43) PTGDR2GAAMMP2
SCHEMBL5129446 0.83 PSEN1 (0.56)
SCHEMBL4440857 0.83 MMP2 (0.53) KAT6APTGDR2LMNATSHRPTGS1
SCHEMBL5051795 0.83 RXRA (0.43) PTGDR2
SCHEMBL4440053 0.83 SUCNR1 (0.50) SHMT1SHMT2PTGDR2SUCNR1
SCHEMBL4440778 0.83 SHMT1 (0.48) SHMT1SHMT2PTGDR2LMNAFAAH

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 SHMT1 2494/4885SHMT2 2027/4885KAT6A 2261/4885

“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.