SCHEMBL4440053

SCHEMBL4440053

Cc1cc(Cl)ccc1-c1cccc(S(=O)(=O)c2cccc(CC(=O)O)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SUCNR1 Q9BXA5 1/20 0.50
PTGDR2 Q9Y5Y4 6/20 0.46
SHMT1 P34896 3/20 0.46
SHMT2 P34897 1/20 0.46
FFAR1 O14842 6/20 0.45
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
RORC P51449 1/20 0.40
PLA2G10 O15496 1/20 0.40
PLA2G2A P14555 1/20 0.40
TBXA2R P21731 1/20 0.39
PTGER1 P34995 1/20 0.39

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
SCHEMBL4433408 0.88 SUCNR1 (0.44) SUCNR1PTGDR2FFAR1
SCHEMBL4433405 0.86 PTGDR2 (0.43) PTGDR2SHMT1FFAR1PLA2G10PLA2G2A
SCHEMBL4440778 0.86 SHMT1 (0.48) PTGDR2SHMT1SHMT2FFAR1PLA2G10
SCHEMBL4432041 0.84 PTGDR2 (0.47) PTGDR2RORC
SCHEMBL4435659 0.83 SHMT1 (0.49) SUCNR1PTGDR2SHMT1SHMT2
SCHEMBL4439770 0.82 FFAR1 (0.50) SUCNR1FFAR1
SCHEMBL4430002 0.80 SUCNR1 (0.51) SUCNR1PTGDR2SHMT1SHMT2FFAR1
SCHEMBL4428876 0.78 ABCC4 (0.51) PTGDR2FFAR1PLA2G10PLA2G2A
SCHEMBL4427555 0.77 FFAR1 (0.62) SHMT1SHMT2FFAR1
SCHEMBL4431713 0.76 PSEN1 (0.50) PTGDR2SHMT1SHMT2FFAR1

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 SUCNR1 412/4885PTGDR2 626/4885SHMT1 2494/4885

“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.