SCHEMBL4435673

SCHEMBL4435673

COc1cc(CC(=O)O)cc(S(=O)(=O)c2cccc(-c3ccc(OC)c(F)c3)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.46
PPARD Q03181 6/20 0.46
PPARA Q07869 2/20 0.46
ACLY P53396 2/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
NR1H4 Q96RI1 1/20 0.42
PTGER2 P43116 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
PAX8 Q06710 1/20 0.40
MGLL Q99685 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 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
SCHEMBL5132203 0.92 FFAR1 (0.48) FFAR1PPARDPPARAACLYNR1H4
SCHEMBL5132510 0.91 FFAR1 (0.44) FFAR1PPARDPPARAACLYNR1H4
SCHEMBL4427578 0.91 NR1H4 (0.46) FFAR1PPARDPPARAACLYPTGDR2
SCHEMBL4435651 0.90 PTGER2 (0.43) FFAR1PPARDPPARAPTGDR2PTGER2
SCHEMBL4433212 0.89 RXRA (0.43) FFAR1PPARDPTGDR2NR1H4PTGER2
SCHEMBL4438508 0.87 PTGER2 (0.46) PTGDR2PTGER2PTGS1
SCHEMBL4428902 0.87 MMP2 (0.50) FFAR1PPARDPTGDR2ALDH1A1HPGD
SCHEMBL4430740 0.87 LOXL2 (0.48) ACLYPTGDR2NR1H4PTGS1
SCHEMBL4434310 0.87 THRA (0.41) FFAR1PPARDPPARAACLYPTGDR2
SCHEMBL4434103 0.84 FFAR1 (0.47) FFAR1PTGDR2MEN1KMT2APTGS1

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 FFAR1 30/4885PPARD 3/4885PPARA 1/4885

“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.