SCHEMBL4493907

SCHEMBL4493907

C=C(C(=O)Oc1ccc(Cl)c(F)c1)C(O)c1nccs1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA3 P32297 1/20 0.37
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
CTSA P10619 11/20 0.35
CHEK2 O96017 1/20 0.33
ATF4 P18848 3/20 0.32
ICAM1 P05362 1/20 0.32
SELE P16581 1/20 0.32
P2RX7 Q99572 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL4506051 0.90 CTSA (0.37) CTSA
SCHEMBL4487757 0.90 MAPT (0.38) CHRNA3CTSA
SCHEMBL4495124 0.83 LMNA (0.42) CTSA
SCHEMBL4497712 0.83 RAB9A (0.41) CTSA
SCHEMBL4500155 0.82 CTSA (0.44) CTSA
SCHEMBL4498776 0.81 CTSA (0.39) PPARGPPARACTSA
SCHEMBL4494328 0.79 TRPM8 (0.39) PPARGCTSA
SCHEMBL4489781 0.79 NPC1 (0.43) CTSA
SCHEMBL4495881 0.78 CTSA (0.40) CTSA
SCHEMBL4481499 0.78 CTSA (0.40) CTSA

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
US-7541472-B2 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides CROPSOLUTION, INC. (US) 2009-06-02 US disclosed
US-7541472-B2 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides CROPSOLUTION, INC. (US) 2009-06-02 US disclosed
US-7541472-B2 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides CROPSOLUTION, INC. (US) 2009-06-02 US disclosed
US-20060094739-A1 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides ATP CAPITAL LP 2006-05-04 US disclosed
WO-2005115148-A1 3-ARYL-3-HYDROXY-2-METHYLENEPROPIONIC ACID ESTERS AS FUNGICIDES CROPSOLUTION, INC. (US) 2005-12-08 WO 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-20060094739-A1 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides CYP51A1, DDT, CYP21A2 CHRNA3 593/4885PPARG 940/4885PPARA 627/4885

“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.