SCHEMBL14891069

SCHEMBL14891069

CCCCNC(=O)CC(C)=O.CCCCNC(=O)CC(C)=O.CCCCNC(=O)CC(C)=O.[Fe]

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.52
EPHX1 P07099 4/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
FAAH O00519 2/20 0.48
NAAA Q02083 1/20 0.48
ACHE P22303 7/20 0.47
MMP2 P08253 1/20 0.47
HPGD P15428 1/20 0.46
CNR1 P21554 1/20 0.44

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
SCHEMBL10605642 0.98 CASP2 (0.54) CASP2EPHX1MEN1KMT2AFAAH
SCHEMBL14890560 0.91 CASP2 (0.64) CASP2EPHX1MEN1KMT2AFAAH
SCHEMBL1826375 0.91 CASP2 (0.63) CASP2EPHX1MEN1KMT2AFAAH
SCHEMBL11581304 0.89 CASP2 (0.67) CASP2EPHX1MEN1KMT2AFAAH
SCHEMBL2942503 0.89 CASP2 (0.67) CASP2EPHX1MEN1KMT2AFAAH
SCHEMBL12323494 0.89 CASP2 (0.67) CASP2EPHX1MEN1KMT2AFAAH
SCHEMBL6655155 0.89 CASP2 (0.67) CASP2EPHX1MEN1KMT2AFAAH
SCHEMBL5696707 0.89 CASP2 (0.67) CASP2EPHX1MEN1KMT2AFAAH
SCHEMBL10631439 0.85 CASP2 (0.60) CASP2EPHX1MEN1KMT2AFAAH
SCHEMBL10682467 0.83 KDM4E (0.59) CASP2EPHX1MEN1KMT2AFAAH

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 4 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-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-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 CASP2 4378/4885EPHX1 3088/4885MEN1 991/4885
US-20160310459-A1 Fe(III) Complex Compounds For The Treatment And Prophylaxis Of Iron Deficiency Symptoms And Iron Deficiency Anemias FECH, SDHB, SLC40A1 CASP2 4378/4885EPHX1 3088/4885MEN1 991/4885

“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.