SCHEMBL2999436

SCHEMBL2999436

COC(=O)C(C(=O)OC)C(C)(OC)C(C)=O

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA14 Q9ULX7 2/20 0.31
CA12 O43570 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
SCHEMBL9794475 0.78 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1CA1CA2CA14
SCHEMBL1782984 0.73 GAA (0.36) ALDH1A1
SCHEMBL13599820 0.72 KMT2A (0.31) CA1CA2
SCHEMBL2600065 0.72 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1CA1CA2CA14
SCHEMBL14827564 0.71 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1CA1CA2CA14
SCHEMBL13751257 0.67 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1CA1CA2CA14
SCHEMBL7208899 0.67 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1CA1CA2CA14
SCHEMBL1241162 0.65 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1CA1CA2CA14
SCHEMBL5517665 0.65
SCHEMBL7528046 0.65 SMN1; SMN2 (0.39) SMN1; SMN2CA1CA2CA14CA12

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-9550745-B2 Method for preparing 4-aminobut-2-enolides BAYER CROPSCIENCE AG (DE) 2017-01-24 US disclosed
US-20120323023-A1 METHOD FOR PREPARING 4-AMINOBUT-2-ENOLIDES BAYER CROPSCIENCE AG (DE) 2012-12-20 US disclosed
US-8273904-B2 Method for preparing 4-aminobut-2-enolides BAYER CROPSCIENCE AG (DE) 2012-09-25 US disclosed
US-20100190990-A1 Method for Producing 4-Aminobut-2-Enolides BAYER CROPSCIENCE AG (DE) 2010-07-29 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 (2 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-20100190990-A1 Method for Producing 4-Aminobut-2-Enolides TUBB4B, UGT2B7, TUBB4A SMN1; SMN2 2471/4885ALDH1A1 295/4885CA1 4461/4885
US-20120323023-A1 METHOD FOR PREPARING 4-AMINOBUT-2-ENOLIDES UGT2B7, TUBB4B, CYP1B1 SMN1; SMN2 2150/4885ALDH1A1 323/4885CA1 4573/4885

“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.