SCHEMBL4499232

SCHEMBL4499232

C=C(C(=O)OCc1ccc(F)c(F)c1)C(O)c1nccs1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
CTSA P10619 11/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
FFAR1 O14842 1/20 0.35
KDM5A P29375 2/20 0.34
KDM5B Q9UGL1 2/20 0.34
KDM4C Q9H3R0 1/20 0.34
MAPK8 P45983 1/20 0.34

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
SCHEMBL13817539 0.89 NR3C2 (0.39) ALOX5CTSAMEN1NPC1RAB9A
SCHEMBL4498395 0.85 L3MBTL1 (0.41) CTSAMEN1KMT2A
SCHEMBL4492485 0.84 PTPRC (0.45) ALOX5CTSAMEN1NPC1RAB9A
SCHEMBL4482931 0.84 CASP1 (0.39) ALOX5CTSAMEN1NPC1RAB9A
SCHEMBL4499116 0.83 CTSA (0.47) ALOX5MAOAMAOBCTSAFFAR1
SCHEMBL4506759 0.83 FFAR1 (0.43) MAOBCTSAMEN1NPC1RAB9A
SCHEMBL4494152 0.83 CTSA (0.38) CTSAFFAR1
SCHEMBL13817541 0.82 CTSA (0.37) ALOX5CTSAMEN1NPC1RAB9A
SCHEMBL13817470 0.82 IDO1 (0.42) MAOBCTSAMEN1KMT2AFFAR1
SCHEMBL4501790 0.82 L3MBTL1 (0.47) MAOBCTSANPC1RAB9AFFAR1

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 4 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

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 ALOX5 336/4885MAOA 394/4885MAOB 757/4885

“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.