SCHEMBL2413271

SCHEMBL2413271

COC(=O)[C@H](CO)NC(=O)CC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.45
TGFBR1 P36897 2/20 0.40
CYP2C9 P11712 3/20 0.39
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
TSHR P16473 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 2/20 0.36
THRB P10828 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
IMPDH2 P12268 1/20 0.34

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
SCHEMBL27908676 1.00 MME (0.45) MMETGFBR1CYP2C9MGAMGAA
SCHEMBL14902201 0.85 L3MBTL1 (0.53) MMETGFBR1CYP2C9MGAMGAA
SCHEMBL22811051 0.84 MME (0.45) MMETGFBR1CYP2C9TSHRMEN1
SCHEMBL30496495 0.84 MME (0.45) MMETGFBR1CYP2C9TSHRMEN1
SCHEMBL1705845 0.82 HDAC6 (0.45) KMT2A
SCHEMBL13453175 0.82 MME (0.46) MMETGFBR1CYP2C9TSHRMEN1
SCHEMBL11940446 0.82 MME (0.46) MMETGFBR1CYP2C9TSHRMEN1
SCHEMBL5808264 0.81 TGFBR1 (0.44) MMETGFBR1CYP2C9TSHRMEN1
SCHEMBL5808266 0.81 TGFBR1 (0.44) MMETGFBR1CYP2C9TSHRMEN1
SCHEMBL18055691 0.81 TGFBR1 (0.44) MMETGFBR1CYP2C9TSHRMEN1

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 18 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
CN-102892415-A Fe(iii) complex compounds for the treatment and prophylaxis of iron deficiency symptoms and iron deficiency anemias VIFOR INT AG 2013-01-23 CN 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 MME 2565/4885TGFBR1 4799/4885CYP2C9 920/4885
US-20160310459-A1 Fe(III) Complex Compounds For The Treatment And Prophylaxis Of Iron Deficiency Symptoms And Iron Deficiency Anemias FECH, SDHB, SLC40A1 MME 2565/4885TGFBR1 4799/4885CYP2C9 920/4885

“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.