SCHEMBL20164301

SCHEMBL20164301

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.39
KDM4E B2RXH2 4/20 0.38
GAA P10253 3/20 0.38
HSD17B10 Q99714 3/20 0.38
ALDH1A1 P00352 5/20 0.37
CASP1 P29466 2/20 0.37
PDK2 Q15119 2/20 0.36
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
KMT2A Q03164 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

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
SCHEMBL18197350 0.93 KDM4E (0.38) HPGDKDM4EGAAHSD17B10ALDH1A1
SCHEMBL18189561 0.91 HPGD (0.47) HPGDKDM4EGAAHSD17B10ALDH1A1
SCHEMBL18189559 0.91 HPGD (0.47) HPGDKDM4EGAAHSD17B10ALDH1A1
SCHEMBL18189575 0.89 PPARD (0.38) HPGDKDM4EGAAHSD17B10ALDH1A1
SCHEMBL18189670 0.89 PDK2 (0.47) PDK2PDE3BPDE3AP2RY12BRD4
SCHEMBL18189671 0.89 PDK2 (0.47) PDK2PDE3BPDE3AP2RY12BRD4
SCHEMBL20175899 0.87 TSHR (0.37) HPGDKDM4EGAAALDH1A1PDK2
SCHEMBL20180882 0.87 HPGD (0.34) HPGDKDM4EGAAHSD17B10ALDH1A1
SCHEMBL18197351 0.87 MAPT (0.37) HPGDKDM4EGAAHSD17B10ALDH1A1
SCHEMBL18189647 0.87 PDK2 (0.47) PDK2PDE3BPDE3ABRD4CNR2

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 2 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

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 HPGD 208/4885KDM4E 3749/4885GAA 111/4885
US-20180140581-A1 METABOLICALLY PROGRAMMED METAL CHELATORS AND USES THEREOF FECH, SLC19A1, SLC40A1 HPGD 208/4885KDM4E 3749/4885GAA 111/4885

“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.