SCHEMBL4430002

SCHEMBL4430002

Cc1cc(Cl)ccc1-c1cccc(Oc2cccc(CC(=O)O)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SUCNR1 Q9BXA5 1/20 0.51
FFAR1 O14842 5/20 0.50
THRA P10827 6/20 0.48
THRB P10828 6/20 0.48
PTGDR2 Q9Y5Y4 4/20 0.48
SHMT1 P34896 1/20 0.46
SHMT2 P34897 1/20 0.46
SRD5A2 P31213 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
SCHEMBL4434117 0.90 THRA (0.54) SUCNR1FFAR1THRATHRBPTGDR2
SCHEMBL4430151 0.88 SHMT1 (0.60) FFAR1THRATHRBPTGDR2SHMT1
SCHEMBL4434442 0.86 PTGS2 (0.50) FFAR1THRATHRBPTGDR2SHMT1
SCHEMBL4428893 0.86 PPARG (0.48) FFAR1THRATHRBPTGDR2SRD5A2
SCHEMBL4432025 0.85 THRA (0.50) FFAR1THRATHRBPTGDR2SHMT1
SCHEMBL4437926 0.84 PTGDR2 (0.49) FFAR1THRATHRBPTGDR2SHMT1
SCHEMBL4432446 0.84 FFAR1 (0.52) FFAR1THRATHRBSRD5A2
SCHEMBL4440017 0.83 PTGDR2 (0.52) FFAR1THRATHRBPTGDR2
SCHEMBL4433185 0.82 PTGDR2 (0.51) FFAR1THRATHRBPTGDR2SHMT1
SCHEMBL4440053 0.80 SUCNR1 (0.50) SUCNR1FFAR1PTGDR2SHMT1SHMT2

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 SUCNR1 412/4885FFAR1 30/4885THRA 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.