SCHEMBL4497668

SCHEMBL4497668

C=C(C(=O)OC(C)c1ccccc1Cl)C(O)c1nccs1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.47
SCN1A P35498 3/20 0.39
SCN5A Q14524 3/20 0.39
SCN8A Q9UQD0 3/20 0.39
LPAR1 Q92633 4/20 0.39
CTSA P10619 6/20 0.37
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
LPAR2 Q9HBW0 1/20 0.34
LPAR3 Q9UBY5 1/20 0.34
OPRM1 P35372 1/20 0.33

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
SCHEMBL4496314 0.81 FFAR2 (0.44) CTSALMNA
SCHEMBL4501220 0.81 CTSA (0.40) CASP1CTSAALDH1A1LMNA
SCHEMBL4485293 0.80 CTSA (0.47) CTSA
SCHEMBL4487148 0.79 CTSA (0.42) CASP1CTSANPC1RAB9AALDH1A1
SCHEMBL4495946 0.77 CASP1 (0.44) CASP1CTSAALDH1A1
SCHEMBL4509791 0.77 ALOX5 (0.36) CTSANPC1RAB9A
SCHEMBL4502830 0.77 CTSA (0.43) CASP1CTSA
SCHEMBL4492735 0.77 CASP1 (0.43) CASP1CTSAALDH1A1
SCHEMBL4497670 0.76 CASP1 (0.44) CASP1CTSA
SCHEMBL4489636 0.76 CTSA (0.39) CTSALMNA

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 2 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-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 443/4885SCN1A 376/4885SCN5A 1285/4885

“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.