SCHEMBL3003340

SCHEMBL3003340

CCOC(=O)C(CC=O)(C(=O)O)C(C)OCC

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.34
MMP8 P22894 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PIN1 Q13526 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL6907180 0.72 CYP4F2 (0.42) PKMMMP8MEN1KMT2APIN1
SCHEMBL2999441 0.71 MAPT (0.31)
SCHEMBL3174385 0.70 PKM (0.42) PKMMMP8MEN1KMT2APIN1
SCHEMBL28276575 0.69 MEN1 (0.41) PKMMMP8MEN1KMT2APIN1
SCHEMBL4548467 0.67 CYP4F2 (0.48) PKMMMP8MEN1KMT2APIN1
SCHEMBL8007259 0.67 MMP8 (0.36) PKMMMP8MEN1KMT2APIN1
SCHEMBL7640868 0.67 MMP8 (0.36) PKMMMP8MEN1KMT2APIN1
SCHEMBL8162301 0.67 MMP8 (0.39) PKMMMP8MEN1KMT2APIN1
SCHEMBL28538614 0.67 LMNA (0.38)
SCHEMBL28985914 0.66 CYP4F2 (0.52) PKMMMP8MEN1KMT2APIN1

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 PKM 1141/4885MMP8 3680/4885MEN1 2422/4885
US-20120323023-A1 METHOD FOR PREPARING 4-AMINOBUT-2-ENOLIDES UGT2B7, TUBB4B, CYP1B1 PKM 1178/4885MMP8 3680/4885MEN1 2210/4885

“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.