SCHEMBL5433707

SCHEMBL5433707

COC(=O)CC(=O)/C(=N\O)C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
TET2 Q6N021 1/20 0.39
TSHR P16473 4/20 0.39
HSD17B10 Q99714 1/20 0.36
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
HSP90AB1 P08238 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
KDM4E B2RXH2 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
EGLN1 Q9GZT9 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
SCHEMBL12522773 1.00 MGAM (0.41) MGAMGAASIMGAM2TET2
SCHEMBL5433710 1.00 MGAM (0.41) MGAMGAASIMGAM2TET2
SCHEMBL12451755 0.83 MGAM (0.46) MGAMGAASIMGAM2TET2
SCHEMBL31484781 0.81 GAA (0.39) MGAMGAASIMGAM2TET2
SCHEMBL18891139 0.80 ALDH1A1 (0.32) TET2ALDH1A1KDM4ETDP1EGLN1
SCHEMBL22213919 0.80 ALDH1A1 (0.32) TET2ALDH1A1KDM4ETDP1EGLN1
SCHEMBL22774906 0.80 ALDH1A1 (0.32) TET2ALDH1A1KDM4ETDP1EGLN1
SCHEMBL13578878 0.79 GAA (0.38) MGAMGAASIMGAM2TET2
SCHEMBL7789785 0.79 GAA (0.38) MGAMGAASIMGAM2TET2
SCHEMBL10749678 0.78 ALDH1A1 (0.31) TET2ALDH1A1KDM4ETDP1EGLN1

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
US-20120238599-A1 HETEROCYCLIC COMPOUNDS AS MEK INHIBITORS CHEMIZON, A DIVISION OF OPTOMAGIC CO., LTD. (KR) 2012-09-20 US disclosed
US-20070082908-A1 Bicycle pyrazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-12 US disclosed
EP-1659123-A1 BICYCLIC PYRAZOLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-05-24 EP 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-20070082908-A1 Bicycle pyrazole derivative DPP4, DPP7, DPP3 MGAM 1650/4885GAA 3757/4885SI 860/4885
US-20120238599-A1 HETEROCYCLIC COMPOUNDS AS MEK INHIBITORS BRAF, MAP3K1, MAP3K11 MGAM 3654/4885GAA 3365/4885SI 2215/4885

“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.