SCHEMBL18197350

SCHEMBL18197350

CCOC(=O)COCCOc1ccc(C2=N[C@@](C)(C(=O)OCC)CS2)c(O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
GAA P10253 3/20 0.38
HSD17B10 Q99714 3/20 0.38
HPGD P15428 5/20 0.37
ALDH1A1 P00352 4/20 0.37
CASP1 P29466 2/20 0.37
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
PDE3B Q13370 2/20 0.35
PDE3A Q14432 2/20 0.35
P2RY12 Q9H244 2/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
XBP1 P17861 1/20 0.35
ALOX12 P18054 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL20180882 0.94 HPGD (0.34) KDM4EGAAHSD17B10HPGDALDH1A1
SCHEMBL20164301 0.93 HPGD (0.39) KDM4EGAAHSD17B10HPGDALDH1A1
SCHEMBL18197351 0.93 MAPT (0.37) KDM4EGAAHSD17B10HPGDALDH1A1
SCHEMBL18197333 0.92 ALDH1A1 (0.36) KDM4EGAAHSD17B10HPGDALDH1A1
SCHEMBL18197344 0.91 KDM4E (0.46) KDM4EGAAHSD17B10HPGDALDH1A1
SCHEMBL20175920 0.90 MEN1 (0.38) KDM4EGAAHSD17B10HPGDALDH1A1
SCHEMBL1534231 0.90 OPRK1 (0.35) KDM4EHSD17B10HPGDALDH1A1MEN1
SCHEMBL12850782 0.90 OPRK1 (0.35) KDM4EHSD17B10HPGDALDH1A1MEN1
SCHEMBL18197349 0.90 ALK (0.35) GAAHSD17B10HPGDALDH1A1CASP1
SCHEMBL30662548 0.90 OPRK1 (0.35) KDM4EHSD17B10HPGDALDH1A1MEN1

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-10570104-B2 Metabolically programmed metal chelators and uses thereof UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2020-02-25 US disclosed
US-20180140581-A1 METABOLICALLY PROGRAMMED METAL CHELATORS AND USES THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2018-05-24 US disclosed
US-20180140581-A1 METABOLICALLY PROGRAMMED METAL CHELATORS AND USES THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2018-05-24 US disclosed
WO-2016176343-A1 METABOLICALLY PROGRAMMED METAL CHELATORS AND USES THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2016-11-03 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-10570104-B2 Metabolically programmed metal chelators and uses thereof FECH, SLC19A1, SLC40A1 KDM4E 3749/4885GAA 111/4885HSD17B10 596/4885
US-20180140581-A1 METABOLICALLY PROGRAMMED METAL CHELATORS AND USES THEREOF FECH, SLC19A1, SLC40A1 KDM4E 3749/4885GAA 111/4885HSD17B10 596/4885

“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.