SCHEMBL8233306

SCHEMBL8233306

CCOC(=O)C/C(C#N)=C\CC(C)C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 5/20 0.36
TSHR P16473 1/20 0.36
CYP2C9 P11712 1/20 0.35
POLB P06746 3/20 0.34
KDM4E B2RXH2 2/20 0.34
NLRP3 Q96P20 3/20 0.33
TRPA1 O75762 1/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL3777276 0.80 MGAM (0.47) MGAMGAASIMGAM2SMN1; SMN2
SCHEMBL3777279 0.80 MGAM (0.47) MGAMGAASIMGAM2SMN1; SMN2
SCHEMBL15698708 0.80 MGAM (0.47) MGAMGAASIMGAM2SMN1; SMN2
SCHEMBL8719877 0.76 MGAM (0.50) MGAMGAASIMGAM2SMN1; SMN2
SCHEMBL1419495 0.73 CYP2C9 (0.56) GAASMN1; SMN2ALDH1A1TSHRCYP2C9
SCHEMBL4661706 0.73 GAA (0.47) MGAMGAASIMGAM2SMN1; SMN2
SCHEMBL1419493 0.73 CYP2C9 (0.56) GAASMN1; SMN2ALDH1A1TSHRCYP2C9
SCHEMBL14507426 0.69 GAA (0.50) MGAMGAASIMGAM2SMN1; SMN2
SCHEMBL14232717 0.69 GAA (0.61) MGAMGAASIMGAM2SMN1; SMN2
SCHEMBL3968607 0.69 MGAM (0.36) MGAMGAASIMGAM2SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007127309-A2 PROCESSES FOR THE SYNTHESIS OF 3-ISOBUTYLGLUTARIC ACID TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-11-08 WO disclosed
US-20070259917-A1 Processes for the synthesis of 3-isobutylglutaric acid TEVA PHARMACEUTICALS USA, INC. 2007-11-08 US disclosed
US-20070259917-A1 Processes for the synthesis of 3-isobutylglutaric acid TEVA PHARMACEUTICALS USA, INC. 2007-11-08 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-20070259917-A1 Processes for the synthesis of 3-isobutylglutaric acid OGDH, GLUL, PGD MGAM 256/4885GAA 314/4885SI 251/4885

“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.