SCHEMBL4428876

SCHEMBL4428876

O=C(O)Cc1cccc(S(=O)(=O)c2cccc(-c3ccccc3)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC4 O15439 1/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
TSHR P16473 1/20 0.51
PTGS1 P23219 1/20 0.51
HTT P42858 1/20 0.51
HTR6 P50406 1/20 0.50
LOX P28300 1/20 0.49
AKR1B1 P15121 1/20 0.48
NAMPT P43490 2/20 0.47
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP3 P08254 1/20 0.47

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
SCHEMBL14033126 0.90 HTR6 (0.60) ABCC4LMNAGAATSHRPTGS1
SCHEMBL4435659 0.90 SHMT1 (0.49) ABCC4LMNAGAATSHRPTGS1
SCHEMBL4437914 0.90 MMP1 (0.50) ABCC4LMNAGAATSHRPTGS1
SCHEMBL4440751 0.88 KAT6A (0.45) HTR6NAMPTGRIN2DGRIN3BGRIN1
SCHEMBL4432041 0.88 PTGDR2 (0.47) HTR6GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4440857 0.87 MMP2 (0.53) LMNATSHRPTGS1MMP1MMP2
SCHEMBL5129446 0.87 PSEN1 (0.56) NR1H4FFAR1
SCHEMBL4431262 0.85 FFAR1 (0.52) HTR6AKR1B1PLA2G10PLA2G2AFFAR1
SCHEMBL4432066 0.85 PSEN1 (0.48) MMP1MMP2MMP9MMP8MMP13
SCHEMBL4429935 0.85 FFAR1 (0.48) FFAR1

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 ABCC4 451/4885LMNA 1002/4885GAA 1562/4885

“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.