SCHEMBL14907131

SCHEMBL14907131

COc1cc(NC(=O)c2ccccc2)c(C(=O)O)cc1OC

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.81
HSD17B10 Q99714 2/20 0.81
MAPK1 P28482 2/20 0.81
AKR1C4 P17516 1/20 0.78
AKR1C3 P42330 1/20 0.78
AKR1C2 P52895 1/20 0.78
AKR1C1 Q04828 1/20 0.78
KMT2A Q03164 6/20 0.69
MEN1 O00255 5/20 0.69
MAPT P10636 4/20 0.69
PKM P14618 1/20 0.69
GRIK1 P39086 1/20 0.69
TDP1 Q9NUW8 1/20 0.69
ALDH1A1 P00352 7/20 0.68
HPGD P15428 4/20 0.68
NPSR1 Q6W5P4 1/20 0.68
RCE1 Q9Y256 1/20 0.68
CA12 O43570 1/20 0.67
CA1 P00915 1/20 0.67
CA7 P43166 1/20 0.67

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
SCHEMBL874173 0.88 KDM4E (0.77) KDM4EHSD17B10MAPK1AKR1C4AKR1C3
SCHEMBL2624524 0.86 AKR1C2 (0.75) KDM4EHSD17B10MAPK1AKR1C4AKR1C3
SCHEMBL2270146 0.84 CHEK1 (0.67) KDM4EHSD17B10MAPK1AKR1C4AKR1C3
SCHEMBL11573780 0.84 AKR1C4 (0.64) KDM4EHSD17B10MAPK1AKR1C4AKR1C3
SCHEMBL2624528 0.82 AKR1C2 (0.69) KDM4EHSD17B10MAPK1AKR1C4AKR1C3
SCHEMBL28254139 0.82 AKR1C4 (0.69) KDM4EHSD17B10MAPK1AKR1C4AKR1C3
SCHEMBL1056451 0.82 KMT2A (1.00) KDM4EHSD17B10MAPK1KMT2AMEN1
SCHEMBL2935687 0.81 MEN1 (0.69) KDM4EHSD17B10MAPK1AKR1C3AKR1C2
SCHEMBL13788777 0.80 MEN1 (0.78) KDM4EHSD17B10MAPK1KMT2AMEN1
SCHEMBL2273065 0.80 MAPK1 (0.57) KDM4EHSD17B10MAPK1AKR1C4AKR1C3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9873661-B2 Small molecule malarial Aldolase-TRAP enhancers and glideosome inhibitors NEW YORK UNIVERSITY (US) 2018-01-23 US disclosed
US-9873661-B2 Small molecule malarial Aldolase-TRAP enhancers and glideosome inhibitors NEW YORK UNIVERSITY (US) 2018-01-23 US disclosed
US-20140275088-A1 SMALL MOLECULE MALARIAL ALDOLASE-TRAP ENHANCERS AND GLIDEOSOME INHIBITORS THE JOHNS HOPKINS UNIVERSITY 2014-09-18 US disclosed
US-20140275088-A1 SMALL MOLECULE MALARIAL ALDOLASE-TRAP ENHANCERS AND GLIDEOSOME INHIBITORS THE JOHNS HOPKINS UNIVERSITY 2014-09-18 US disclosed
WO-2013063243-A1 SMALL MOLECULE MALARIAL ALDOLASE-TRAP ENHANCERS AND GLIDEOSOME INHIBITORS NEW YORK UNIVERSITY (US) 2013-05-02 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 (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-20140275088-A1 SMALL MOLECULE MALARIAL ALDOLASE-TRAP ENHANCERS AND GLIDEOSOME INHIBITORS ALDOA, DERA, TALDO1 KDM4E 283/4885HSD17B10 2412/4885MAPK1 3475/4885

“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.