SCHEMBL2228729

SCHEMBL2228729

O=C(O)C(CO)NCc1ccccc1O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
MAPK1 P28482 1/20 0.49
HIF1A Q16665 2/20 0.48
TSHR P16473 2/20 0.48
CYP2D6 P10635 1/20 0.48
AKR1B1 P15121 1/20 0.47
CA12 O43570 4/20 0.46
CA2 P00918 4/20 0.46
PKM P14618 1/20 0.45
PDCD1 Q15116 8/20 0.44
CD274 Q9NZQ7 8/20 0.44
CA9 Q16790 3/20 0.44
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NOX4 Q9NPH5 1/20 0.43
MPO P05164 1/20 0.42

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
SCHEMBL1741412 1.00 POLB (0.49) POLBMAPK1HIF1ATSHRCYP2D6
SCHEMBL3679027 0.87 PDCD1 (0.45) PDCD1CD274
SCHEMBL17223893 0.87 PDCD1 (0.45) PDCD1CD274
SCHEMBL28567356 0.85 AKR1B1 (0.50) POLBMAPK1HIF1ATSHRCYP2D6
SCHEMBL6234672 0.84 POLB (0.61) POLBMAPK1HIF1ATSHRCYP2D6
SCHEMBL2878063 0.84 POLB (0.47) POLBMAPK1HIF1ATSHRCYP2D6
SCHEMBL2878055 0.84 POLB (0.47) POLBMAPK1HIF1ATSHRCYP2D6
SCHEMBL2985297 0.84 MPO (0.47) AKR1B1CA12CA2PDCD1CD274
SCHEMBL11813050 0.83 MEN1 (0.50) POLBMAPK1HIF1ATSHRCYP2D6
SCHEMBL13093374 0.83 TSHR (0.44) POLBMAPK1HIF1ATSHRCYP2D6

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
EP-2340823-B1 IRON CHELATING AGENT, METHOD FOR PRODUCING THE SAME, METHOD FOR DETERMINING AMOUNT OF IRON IONS AND METHOD FOR TRAPPING IRON IONS NAT UNIVERSITY CORP ASAHIKAWA MEDICAL COLLEGE (JP) 2016-02-10 EP disclosed
US-8623661-B2 Iron chelating agent, method for producing same, method for determining amount of iron ions and method for trapping iron ions NATIONAL UNIVERSITY CORPORATION ASAHIKAWA MEDICAL COLLEGE (JP) 2014-01-07 US disclosed
US-8623661-B2 Iron chelating agent, method for producing same, method for determining amount of iron ions and method for trapping iron ions NATIONAL UNIVERSITY CORPORATION ASAHIKAWA MEDICAL COLLEGE (JP) 2014-01-07 US disclosed
US-8623661-B2 Iron chelating agent, method for producing same, method for determining amount of iron ions and method for trapping iron ions NATIONAL UNIVERSITY CORPORATION ASAHIKAWA MEDICAL COLLEGE (JP) 2014-01-07 US disclosed
US-20110189779-A1 IRON CHELATING AGENT, METHOD FOR PRODUCING SAME, METHOD FOR DETERMINING AMOUNT OF IRON IONS AND METHOD FOR TRAPPING IRON IONS YAMAGATA UNIVERSITY (JP) 2011-08-04 US disclosed
US-20110189779-A1 IRON CHELATING AGENT, METHOD FOR PRODUCING SAME, METHOD FOR DETERMINING AMOUNT OF IRON IONS AND METHOD FOR TRAPPING IRON IONS YAMAGATA UNIVERSITY (JP) 2011-08-04 US disclosed
US-20110189779-A1 IRON CHELATING AGENT, METHOD FOR PRODUCING SAME, METHOD FOR DETERMINING AMOUNT OF IRON IONS AND METHOD FOR TRAPPING IRON IONS YAMAGATA UNIVERSITY (JP) 2011-08-04 US disclosed
EP-2340823-A1 IRON CHELATING AGENT, METHOD FOR PRODUCING SAME, METHOD FOR DETERMINING AMOUNT OF IRON IONS AND METHOD FOR TRAPPING IRON IONS National University Corporation Asahikawa Medical College (JP) 2011-07-06 EP 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-20110189779-A1 IRON CHELATING AGENT, METHOD FOR PRODUCING SAME, METHOD FOR DETERMINING AMOUNT OF IRON IONS AND METHOD FOR TRAPPING IRON IONS SLC40A1, FTH1, TFRC POLB 3330/4885MAPK1 4652/4885HIF1A 544/4885

“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.