SCHEMBL4498480

SCHEMBL4498480

C=C(C(=O)OCc1cccc(Cl)c1Cl)C(O)c1nccs1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.40
CTSA P10619 11/20 0.39
PTPRC P08575 1/20 0.37
PTPRG P23470 1/20 0.37
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
IDO1 P14902 2/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
ALOX12 P18054 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL4495946 0.91 CASP1 (0.44) CASP1CTSASLC6A2SLC6A4CASP3
SCHEMBL4492735 0.89 CASP1 (0.43) CASP1CTSAL3MBTL1MEN1KMT2A
SCHEMBL13817481 0.88 P2RX7 (0.39) CTSA
SCHEMBL4497670 0.83 CASP1 (0.44) CASP1CTSASLC6A2SLC6A4CASP3
SCHEMBL4489986 0.83 CTSA (0.38) CASP1CTSAL3MBTL1MEN1KMT2A
SCHEMBL4502830 0.82 CTSA (0.43) CASP1CTSA
SCHEMBL4499116 0.80 CTSA (0.47) CTSAL3MBTL1
SCHEMBL4483012 0.80 MAOB (0.40) CTSAIDO1
SCHEMBL13817536 0.80 CTSA (0.39) CTSA
SCHEMBL4498395 0.80 L3MBTL1 (0.41) CASP1CTSAL3MBTL1MEN1KMT2A

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 CASP1 443/4885CTSA 1423/4885PTPRC 772/4885

“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.