SCHEMBL4502830

SCHEMBL4502830

C=C(C(=O)Oc1cccc(Cl)c1Cl)C(O)c1nccs1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSA P10619 16/20 0.43
CASP1 P29466 1/20 0.36
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
AURKA O14965 1/20 0.34
AURKB Q96GD4 1/20 0.34
INCENP Q9NQS7 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
SCHEMBL4501220 0.90 CTSA (0.40) CTSACASP1
SCHEMBL4487148 0.88 CTSA (0.42) CTSACASP1
SCHEMBL4498480 0.82 CASP1 (0.40) CTSACASP1
SCHEMBL4492735 0.81 CASP1 (0.43) CTSACASP1NPSR1
SCHEMBL4480295 0.81 CTSA (0.41) CTSA
SCHEMBL4495117 0.81 CTSA (0.40) CTSA
SCHEMBL4500155 0.80 CTSA (0.44) CTSA
SCHEMBL4495124 0.79 LMNA (0.42) CTSAHTT
SCHEMBL4508505 0.79 HTT (0.41) CTSAHTT
SCHEMBL4487757 0.79 MAPT (0.38) CTSAAURKAAURKB

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 1423/4885CASP1 443/4885HTT 1382/4885

“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.