SCHEMBL4498395

SCHEMBL4498395

C=C(C(=O)OCc1ccc(Cl)cc1)C(O)c1nccs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.41
FFAR2 O15552 3/20 0.41
GAA P10253 3/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
CTSA P10619 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
INPPL1 O15357 1/20 0.38
MAPK1 P28482 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 2/20 0.36

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
SCHEMBL4496317 0.89 FFAR2 (0.43) L3MBTL1FFAR2GAAKMT2AMEN1
SCHEMBL4494152 0.88 CTSA (0.38) CTSACASP1
SCHEMBL4492485 0.87 PTPRC (0.45) KMT2AMEN1CTSAALDH1A1KDM4E
SCHEMBL4499116 0.86 CTSA (0.47) L3MBTL1CTSAKDM4ECYP1A2CYP2D6
SCHEMBL4506759 0.86 FFAR1 (0.43) KMT2AMEN1CTSACYP1A2CYP3A4
SCHEMBL4499232 0.85 ALOX5 (0.38) KMT2AMEN1CTSA
SCHEMBL13817544 0.85 ALOX5 (0.34) CTSAALDH1A1CASP1
SCHEMBL4482931 0.85 CASP1 (0.39) KMT2AMEN1CTSAALDH1A1KDM4E
SCHEMBL13817479 0.84 TDP1 (0.34) L3MBTL1KMT2AMEN1CTSAALDH1A1
SCHEMBL4496418 0.84 CTSA (0.42) KMT2AMEN1CTSASMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060094739-A1 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides ATP CAPITAL LP 2006-05-04 US claimed
WO-2005115148-A1 3-ARYL-3-HYDROXY-2-METHYLENEPROPIONIC ACID ESTERS AS FUNGICIDES CROPSOLUTION, INC. (US) 2005-12-08 WO claimed
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 L3MBTL1 2107/4885FFAR2 233/4885GAA 801/4885

“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.