SCHEMBL4434979

SCHEMBL4434979

COc1cc(CC(=O)O)cc(S(=O)(=O)c2cccc(-c3cccc(Cl)c3)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 1/20 0.43
PTGDR2 Q9Y5Y4 5/20 0.42
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
PTGS1 P23219 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
LOXL2 Q9Y4K0 2/20 0.40
RORC P51449 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FFAR1 O14842 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 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
SCHEMBL4430445 0.92 ACLY (0.43) DAGLAPTGDR2THRATHRBLOXL2
SCHEMBL4430740 0.91 LOXL2 (0.48) PTGDR2PTGS1AKR1C3AKR1C2LOXL2
SCHEMBL4428902 0.89 MMP2 (0.50) PTGDR2PTGS1AKR1C3AKR1C2LOXL2
SCHEMBL4434310 0.89 THRA (0.41) DAGLAPTGDR2THRATHRBMEN1
SCHEMBL4433408 0.88 SUCNR1 (0.44) PTGDR2THRATHRBFFAR1TUBB4A
SCHEMBL4438508 0.87 PTGER2 (0.46) PTGDR2PTGS1AKR1C3AKR1C2LOXL2
SCHEMBL4433212 0.86 RXRA (0.43) PTGDR2PTGS1AKR1C3AKR1C2LOXL2
SCHEMBL4432041 0.84 PTGDR2 (0.47) DAGLAPTGDR2RORC
SCHEMBL4439777 0.84 FFAR1 (0.44) PTGDR2PTGS1AKR1C3AKR1C2FFAR1
SCHEMBL4432426 0.84 RXRA (0.52) PTGDR2THRATHRBAKR1C3AKR1C2

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 DAGLA 98/4885PTGDR2 626/4885THRA 126/4885

“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.