SCHEMBL424707

SCHEMBL424707

CC(C)(C)OC(=O)C=C1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.43
NR1H2 P55055 2/20 0.42
HPGD P15428 1/20 0.41
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ADORA1 P30542 2/20 0.40
MAPK1 P28482 1/20 0.39
EPHX1 P07099 1/20 0.37
MAPT P10636 5/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
THRB P10828 1/20 0.36
LMNA P02545 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36

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
SCHEMBL424706 1.00 ESR2 (0.43) ESR2NR1H2HPGDUSP2SMN1; SMN2
SCHEMBL424756 1.00 ESR2 (0.43) ESR2NR1H2HPGDUSP2SMN1; SMN2
SCHEMBL20660348 0.92 NR1H2 (0.42) ESR2NR1H2HPGDUSP2SMN1; SMN2
SCHEMBL19342171 0.92 NR1H2 (0.42) ESR2NR1H2HPGDUSP2SMN1; SMN2
SCHEMBL4710868 0.88 ADORA1 (0.45) ESR2NR1H2HPGDUSP2SMN1; SMN2
SCHEMBL4710867 0.88 ADORA1 (0.45) ESR2NR1H2HPGDUSP2SMN1; SMN2
SCHEMBL4710869 0.88 ADORA1 (0.45) ESR2NR1H2HPGDUSP2SMN1; SMN2
SCHEMBL991492 0.85 ESR2 (0.45) ESR2NR1H2HPGDUSP2SMN1; SMN2
SCHEMBL991494 0.85 ESR2 (0.45) ESR2NR1H2HPGDUSP2SMN1; SMN2
SCHEMBL20464223 0.85 ESR2 (0.45) ESR2NR1H2HPGDUSP2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895551-B2 Acrylamide compounds and the use thereof SHIONOGI & CO., LTD. (JP) 2014-11-25 US disclosed
EP-2414332-B1 ACRYLAMIDE COMPOUNDS AND THE USE THEREOF SHIONOGI & CO (JP) 2013-10-23 EP disclosed
EP-2414332-A1 ACRYLAMIDE COMPOUNDS AND THE USE THEREOF Shionogi & Co., Ltd. (JP) 2012-02-08 EP disclosed
US-20120022069-A1 ACRYLAMIDE COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2012-01-26 US disclosed
WO-2010114181-A1 ACRYLAMIDE COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-07 WO 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-20120022069-A1 ACRYLAMIDE COMPOUNDS AND THE USE THEREOF TRPA1, TRPV1, CACNA1B ESR2 2620/4885NR1H2 3960/4885HPGD 687/4885

“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.