SCHEMBL4487410

SCHEMBL4487410

C=C(C(=O)OCc1ccc(OC(F)(F)F)cc1)C(O)c1nccs1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSA P10619 5/20 0.42
MAPK8 P45983 1/20 0.40
SCN3A Q9NY46 1/20 0.39
CNR1 P21554 1/20 0.39
FFAR1 O14842 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
NTRK1 P04629 4/20 0.37
KCNA5 P22460 1/20 0.37
MMP12 P39900 1/20 0.37
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP14 P50281 1/20 0.35
ADAM17 P78536 1/20 0.35
AR P10275 1/20 0.35

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
SCHEMBL4498439 0.89 CTSA (0.51) CTSAFFAR1CYP19A1CYP11B1CYP11B2
SCHEMBL4506759 0.88 FFAR1 (0.43) CTSAMAPK8SCN3AFFAR1MMP12
SCHEMBL4496418 0.84 CTSA (0.42) CTSAFFAR1NPC1RAB9AMMP2
SCHEMBL4498395 0.83 L3MBTL1 (0.41) CTSA
SCHEMBL4499435 0.82 FFAR1 (0.39) FFAR1NPC1RAB9A
SCHEMBL4492426 0.81 FFAR1 (0.39) CTSAFFAR1NPC1RAB9A
SCHEMBL13817539 0.81 NR3C2 (0.39) CTSAFFAR1NPC1RAB9A
SCHEMBL4499232 0.81 ALOX5 (0.38) CTSAMAPK8FFAR1NPC1RAB9A
SCHEMBL13817541 0.81 CTSA (0.37) CTSAFFAR1NPC1RAB9A
SCHEMBL13817470 0.81 IDO1 (0.42) CTSAFFAR1

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 1423/4885MAPK8 4609/4885SCN3A 243/4885

“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.