SCHEMBL2415465

SCHEMBL2415465

COCC(=O)CC(=O)N1CCC(O)CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ KMT2A Q03164 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ GRM3 Q14832 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ EPHX2 P34913 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CYP2C9 P11712 1/20 0.33
▸ SLC9A1 P19634 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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
SCHEMBL10313328 0.85 KMT2A (0.46) ALDH1A1NPC1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL12322935 0.83 ALDH1A1 (0.45) ALDH1A1NPC1KMT2AL3MBTL1ATM
SCHEMBL19621176 0.82 NOS3 (0.36) ALDH1A1NPC1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL2416369 0.80 EPHX2 (0.44) ALDH1A1NPC1HTTTDP1EPHX2
SCHEMBL2416341 0.77 L3MBTL1 (0.56) ALDH1A1L3MBTL1HTT
SCHEMBL2413139 0.76 ALDH1A1 (0.42) ALDH1A1NPC1KMT2AHTTTDP1
SCHEMBL12765266 0.75 DPP4 (0.44) ALDH1A1KMT2AL3MBTL1MEN1
SCHEMBL12765259 0.75 DPP4 (0.44) ALDH1A1KMT2AL3MBTL1MEN1
SCHEMBL14890472 0.74 ALDH1A1 (0.41) ALDH1A1NPC1KMT2AHTTTDP1
SCHEMBL19621344 0.73 NPSR1 (0.37) ALDH1A1NPC1KMT2ASMN1; SMN2NPSR1

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 17 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-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
EP-2549991-B1 FE(III) COMPLEX COMPOUNDS FOR TREATING AND PROPHYLAXIS FOR ANAEMIA SYMPTOMS AND ANAEMIA VIFOR (INTERNATIONAL) AG (CH) 2017-11-22 — — EP disclosed
EP-2549991-B1 FE(III) COMPLEX COMPOUNDS FOR TREATING AND PROPHYLAXIS FOR ANAEMIA SYMPTOMS AND ANAEMIA VIFOR (INTERNATIONAL) AG (CH) 2017-11-22 — — EP 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-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-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
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
EP-2549991-A1 FE(III) COMPLEX COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF IRON DEFICIENCY SYMPTOMS AND IRON DEFICIENCY ANEMIAS Vifor (International) AG (CH) 2013-01-30 — — EP disclosed
WO-2011117225-A1 FE(III) COMPLEX COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF IRON DEFICIENCY SYMPTOMS AND IRON DEFICIENCY ANEMIAS VIFOR (INTERNATIONAL) AG (CH) 2011-09-29 — — WO disclosed
WO-2011117225-A1 FE(III) COMPLEX COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF IRON DEFICIENCY SYMPTOMS AND IRON DEFICIENCY ANEMIAS VIFOR (INTERNATIONAL) AG (CH) 2011-09-29 — — 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 (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 ALDH1A1 1539/4885NPC1 781/4885KMT2A 2843/4885
US-20160310459-A1 Fe(III) Complex Compounds For The Treatment And Prophylaxis Of Iron Deficiency Symptoms And Iron Deficiency Anemias FECH, SDHB, SLC40A1 ALDH1A1 1539/4885NPC1 781/4885KMT2A 2843/4885

“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.

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