SCHEMBL12466907

SCHEMBL12466907

C=CCOC(=O)NC(C(=O)CC)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
CASP1 P29466 14/20 0.38
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.35

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
SCHEMBL2049299 0.84 CASP1 (0.39) SMN1; SMN2CASP1MAPTALDH1A1
SCHEMBL14943742 0.84 SMN1; SMN2 (0.38) SMN1; SMN2CASP1MAPTALDH1A1TSHR
SCHEMBL731986 0.84 CASP1 (0.39) SMN1; SMN2CASP1MAPTALDH1A1
SCHEMBL12401070 0.83 SMN1; SMN2 (0.37) SMN1; SMN2CASP1MAPTALDH1A1TSHR
SCHEMBL15338738 0.83 SMN1; SMN2 (0.37) SMN1; SMN2CASP1MAPTALDH1A1TSHR
SCHEMBL14865101 0.78 CA1 (0.33)
SCHEMBL12175008 0.78 CA1 (0.33)
SCHEMBL12503784 0.77 ALOX15 (0.37) SMN1; SMN2TSHR
SCHEMBL12468221 0.75 CA1 (0.50)
SCHEMBL12482274 0.75 CA1 (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070179167-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 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-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 SMN1; SMN2 2265/4885CASP1 122/4885MAPT 2629/4885

“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.