SCHEMBL4498776

SCHEMBL4498776

C=C(C(=O)Oc1ccc(Cl)cc1F)C(O)c1nccs1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSA P10619 9/20 0.39
KCNMA1 Q12791 1/20 0.38
PPARG P37231 5/20 0.38
PPARA Q07869 5/20 0.38
MRGPRX4 Q96LA9 1/20 0.34
USP30 Q70CQ3 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
SCN9A Q15858 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
SCHEMBL4495881 0.88 CTSA (0.40) CTSASCN9A
SCHEMBL4495117 0.88 CTSA (0.40) CTSAKCNMA1
SCHEMBL4481499 0.84 CTSA (0.40) CTSA
SCHEMBL4495124 0.82 LMNA (0.42) CTSA
SCHEMBL4506051 0.81 CTSA (0.37) CTSA
SCHEMBL4501213 0.81 CTSA (0.42) CTSA
SCHEMBL4493907 0.81 CHRNA3 (0.37) CTSAPPARGPPARA
SCHEMBL4500155 0.81 CTSA (0.44) CTSA
SCHEMBL4480295 0.79 CTSA (0.41) CTSA
SCHEMBL4487148 0.79 CTSA (0.42) 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 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 CTSA 1423/4885KCNMA1 1581/4885PPARG 940/4885

“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.