SCHEMBL4501259

SCHEMBL4501259

C=C(C(=O)OCc1ccc(Cl)s1)C(O)c1nccs1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CASP1 P29466 1/20 0.34
ADAM17 P78536 1/20 0.33
CTSA P10619 8/20 0.32
NPSR1 Q6W5P4 1/20 0.31
POLB P06746 1/20 0.31
THRB P10828 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
TSHR P16473 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
SCHEMBL4498395 0.81 L3MBTL1 (0.41) ALDH1A1MEN1KMT2ACASP1CTSA
SCHEMBL4492735 0.81 CASP1 (0.43) ALDH1A1HPGDMEN1KMT2ACASP1
SCHEMBL4495946 0.80 CASP1 (0.44) ALDH1A1HPGDMEN1KMT2ACASP1
SCHEMBL4494152 0.79 CTSA (0.38) CASP1CTSA
SCHEMBL4492485 0.79 PTPRC (0.45) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL13817544 0.78 ALOX5 (0.34) NPC1RAB9AALDH1A1CASP1CTSA
SCHEMBL4498480 0.78 CASP1 (0.40) MEN1KMT2ACASP1CTSAL3MBTL1
SCHEMBL4489986 0.78 CTSA (0.38) ALDH1A1MEN1KMT2ACASP1CTSA
SCHEMBL4499116 0.78 CTSA (0.47) HPGDCTSAL3MBTL1
SCHEMBL4492244 0.76 CTSA (0.32) NPC1RAB9AALDH1A1ADAM17CTSA

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 NPC1 2050/4885RAB9A 2421/4885ALDH1A1 62/4885

“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.