SCHEMBL4495946

SCHEMBL4495946

C=C(C(=O)OCc1ccccc1Cl)C(O)c1nccs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.44
CASP3 P42574 3/20 0.44
SENP8 Q96LD8 3/20 0.44
SENP7 Q9BQF6 3/20 0.44
SENP6 Q9GZR1 3/20 0.44
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
CTSA P10619 4/20 0.39
FABP4 P15090 1/20 0.38
FABP5 Q01469 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
PKM P14618 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL4498480 0.91 CASP1 (0.40) CASP1CASP3SENP8SENP7SENP6
SCHEMBL4497670 0.90 CASP1 (0.44) CASP1CASP3SENP8SENP7SENP6
SCHEMBL4492735 0.88 CASP1 (0.43) CASP1ALDH1A1CTSAKMT2AMEN1
SCHEMBL4489986 0.87 CTSA (0.38) CASP1ALDH1A1CTSAKMT2AMEN1
SCHEMBL4483012 0.84 MAOB (0.40) ALDH1A1HTTCTSAMAOAMAOB
SCHEMBL13817481 0.83 P2RX7 (0.39) CTSA
SCHEMBL13817540 0.83 NPC1 (0.39) CTSAMAPT
SCHEMBL4498395 0.81 L3MBTL1 (0.41) CASP1ALDH1A1CTSAKMT2AMEN1
SCHEMBL4501220 0.81 CTSA (0.40) CASP1ALDH1A1CTSAKMT2AMEN1
SCHEMBL4492485 0.81 PTPRC (0.45) CASP1ALDH1A1CTSAKMT2AMEN1

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 443/4885CASP3 101/4885SENP8 4424/4885

“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.