SCHEMBL4492244

SCHEMBL4492244

C=C(C(=O)OCc1c(F)c(F)c(F)c(F)c1F)C(O)c1nccs1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSA P10619 11/20 0.32
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
ADAM17 P78536 1/20 0.31
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
MMP12 P39900 1/20 0.30
AOC3 Q16853 1/20 0.30

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
SCHEMBL4486697 0.85 NPC1 (0.33) CTSANPC1RAB9AAOC3
SCHEMBL4492735 0.83 CASP1 (0.43) CTSAALDH1A1
SCHEMBL4499232 0.80 ALOX5 (0.38) CTSANPC1RAB9A
SCHEMBL13817536 0.79 CTSA (0.39) CTSAALDH1A1NPC1RAB9AAOC3
SCHEMBL4492426 0.79 FFAR1 (0.39) CTSAALDH1A1NPC1RAB9A
SCHEMBL4506759 0.79 FFAR1 (0.43) CTSANPC1RAB9AMMP1MMP12
SCHEMBL4498395 0.78 L3MBTL1 (0.41) CTSAALDH1A1
SCHEMBL4494152 0.78 CTSA (0.38) CTSA
SCHEMBL13817538 0.78 FFAR1 (0.37) CTSAALDH1A1NPC1RAB9A
SCHEMBL4484469 0.78 CNR2 (0.35) CTSAALDH1A1PKMNPC1RAB9A

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 1423/4885ALDH1A1 62/4885PKM 3172/4885

“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.