SCHEMBL1349347

SCHEMBL1349347

CCOC(=O)CC(=O)c1c(F)c(F)cc(F)c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.47
GAA P10253 1/20 0.47
SI P14410 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 2/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA4 P22748 2/20 0.41
NLRP3 Q96P20 2/20 0.41
MIF P14174 1/20 0.41
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
TSHR P16473 1/20 0.36
HPGD P15428 1/20 0.36
LMNA P02545 1/20 0.36
NR1H2 P55055 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
SCHEMBL9263418 0.90 ALDH1A1 (0.44) MGAMGAASIMGAM2MEN1
SCHEMBL5502158 0.89 MEN1 (0.43) MGAMGAASIMGAM2MEN1
SCHEMBL1348394 0.86 GAA (0.47) MGAMGAASIMGAM2MEN1
SCHEMBL9046771 0.86 KDM4E (0.41) MGAMGAASIMGAM2MEN1
SCHEMBL1186761 0.85 GAA (0.54) MGAMGAASIMGAM2MEN1
SCHEMBL1555531 0.85 MGAM (0.45) MGAMGAASIMGAM2MEN1
SCHEMBL13745873 0.82 CES2 (0.49) MGAMGAASIMGAM2MEN1
SCHEMBL9049112 0.81 ALDH1A1 (0.38) MGAMGAASIMGAM2MEN1
Acetic Acid SCHEMBL8871374 0.81 GAA (0.48) MGAMGAASIMGAM2MEN1
SCHEMBL1185918 0.80 ALDH1A1 (0.44) MGAMGAASIMGAM2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063066-B2 MAPK/ERK kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-11-22 US disclosed
US-8063066-B2 MAPK/ERK kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-11-22 US disclosed
US-8063066-B2 MAPK/ERK kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-11-22 US disclosed
EP-2150544-A2 MAPK/ERK KINASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-02-10 EP disclosed
US-20090118324-A1 MAPK/ERK KINASE INHIBITORS TAKEDA SAN DIEGO, INC. 2009-05-07 US disclosed
US-20090118324-A1 MAPK/ERK KINASE INHIBITORS TAKEDA SAN DIEGO, INC. 2009-05-07 US disclosed
US-20090118324-A1 MAPK/ERK KINASE INHIBITORS TAKEDA SAN DIEGO, INC. 2009-05-07 US disclosed
WO-2008115890-A2 MAPK/ERK KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-25 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-20090118324-A1 MAPK/ERK KINASE INHIBITORS MAPK1, MAP3K1, MAP3K7 MGAM 1661/4885GAA 2762/4885SI 3531/4885

“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.