SCHEMBL4501448

SCHEMBL4501448

C=C(C(=O)OCc1cccc(C#N)c1)C(O)c1nccs1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSA P10619 5/20 0.41
FFAR1 O14842 3/20 0.40
FFAR4 Q5NUL3 1/20 0.40
CYP19A1 P11511 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
MAPK8 P45983 1/20 0.38
MRGPRX4 Q96LA9 3/20 0.38
SGMS2 Q8NHU3 1/20 0.38
MAOB P27338 1/20 0.37
ALOX5 P09917 1/20 0.37
ALKBH1 Q13686 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL4499116 0.84 CTSA (0.47) CTSAFFAR1MAOBALOX5
SCHEMBL4492518 0.84 CTSA (0.44) CTSAFFAR1MAOBALOX5
SCHEMBL4498439 0.81 CTSA (0.51) CTSAFFAR1CYP19A1CYP11B1CYP11B2
SCHEMBL4492485 0.79 PTPRC (0.45) CTSAALOX5
SCHEMBL4499232 0.79 ALOX5 (0.38) CTSAFFAR1MAPK8MAOBALOX5
SCHEMBL4492735 0.77 CASP1 (0.43) CTSA
SCHEMBL4494152 0.77 CTSA (0.38) CTSAFFAR1
SCHEMBL4498395 0.77 L3MBTL1 (0.41) CTSA
SCHEMBL4486483 0.76 FAAH (0.40) CTSAFFAR1ALOX5
SCHEMBL13817544 0.76 ALOX5 (0.34) CTSAFFAR1ALOX5

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 CTSA 1423/4885FFAR1 304/4885FFAR4 515/4885

“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.