SCHEMBL14902242

SCHEMBL14902242

COC(=O)CN(C)C(=O)CC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.52
GAA P10253 2/20 0.52
SI P14410 2/20 0.52
MGAM2 Q2M2H8 2/20 0.52
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 4/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
KDM4E B2RXH2 2/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HSD11B1 P28845 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
TET2 Q6N021 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
SCHEMBL14902243 0.83 CA12 (0.58) MGAMGAASIMGAM2MEN1
Hydrochloric Acid SCHEMBL27640665 0.81 KDM4E (0.45) MGAMGAASIMGAM2MEN1
SCHEMBL2909351 0.79 MGAM (0.46) MGAMGAASIMGAM2MEN1
SCHEMBL23135884 0.78 MEN1 (0.39) MGAMGAASIMGAM2MEN1
SCHEMBL19821450 0.78 ALDH1A1 (0.43) MGAMGAASIMGAM2MEN1
SCHEMBL8990009 0.78 CA12 (0.42) MGAMGAASIMGAM2MEN1
SCHEMBL15146912 0.78 MGAM (0.37) MGAMGAASIMGAM2MEN1
SCHEMBL1767618 0.77 MVD (0.42) MGAMGAASIMGAM2TSHR
SCHEMBL21070017 0.77 MEN1 (0.38) MGAMGAASIMGAM2MEN1
SCHEMBL9915044 0.77 TSHR (0.42) 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-9943498-B2 Fe(III) complex compounds for the treatment and prophylaxis of iron deficiency symptoms and iron deficiency anemias VIFOR (INTERNATIONAL) AG (CH) 2018-04-17 US disclosed
US-9943498-B2 Fe(III) complex compounds for the treatment and prophylaxis of iron deficiency symptoms and iron deficiency anemias VIFOR (INTERNATIONAL) AG (CH) 2018-04-17 US disclosed
US-20160310459-A1 Fe(III) Complex Compounds For The Treatment And Prophylaxis Of Iron Deficiency Symptoms And Iron Deficiency Anemias VIFOR (INTERNATIONAL) AG (CH) 2016-10-27 US disclosed
US-20160310459-A1 Fe(III) Complex Compounds For The Treatment And Prophylaxis Of Iron Deficiency Symptoms And Iron Deficiency Anemias VIFOR (INTERNATIONAL) AG (CH) 2016-10-27 US disclosed
US-9394324-B2 Fe(III) complex compounds for the treatment and prophylaxis of iron deficiency symptoms and iron deficiency anemias VIFOR (INTERNATIONAL) AG (CH) 2016-07-19 US disclosed
US-9394324-B2 Fe(III) complex compounds for the treatment and prophylaxis of iron deficiency symptoms and iron deficiency anemias VIFOR (INTERNATIONAL) AG (CH) 2016-07-19 US disclosed
US-20130109662-A1 Fe(III) Complex Compounds For The Treatment And Prophylaxis Of Iron Deficiency Symptoms And Iron Deficiency Anemias VIFOR (INTERNATIONAL) AG (CH) 2013-05-02 US disclosed
US-20130109662-A1 Fe(III) Complex Compounds For The Treatment And Prophylaxis Of Iron Deficiency Symptoms And Iron Deficiency Anemias VIFOR (INTERNATIONAL) AG (CH) 2013-05-02 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-20130109662-A1 Fe(III) Complex Compounds For The Treatment And Prophylaxis Of Iron Deficiency Symptoms And Iron Deficiency Anemias FECH, SDHB, SLC40A1 MGAM 1180/4885GAA 215/4885SI 518/4885
US-20160310459-A1 Fe(III) Complex Compounds For The Treatment And Prophylaxis Of Iron Deficiency Symptoms And Iron Deficiency Anemias FECH, SDHB, SLC40A1 MGAM 1180/4885GAA 215/4885SI 518/4885

“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.