SCHEMBL18197344

SCHEMBL18197344

CCOC(=O)COc1ccc(C2=N[C@@](C)(C(=O)OCC)CS2)c(O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.46
GAA P10253 7/20 0.46
HSD17B10 Q99714 6/20 0.46
HPGD P15428 8/20 0.45
ALDH1A1 P00352 7/20 0.44
CASP1 P29466 3/20 0.44
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
ALDH2 P05091 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
GLA P06280 2/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
P2RY12 Q9H244 1/20 0.38
MAPT P10636 4/20 0.36
TP53 P04637 2/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL18189559 0.92 HPGD (0.47) KDM4EGAAHSD17B10HPGDALDH1A1
SCHEMBL18189561 0.92 HPGD (0.47) KDM4EGAAHSD17B10HPGDALDH1A1
SCHEMBL20176128 0.91 KMT2A (0.40) KDM4EGAAHSD17B10HPGDALDH1A1
SCHEMBL18197350 0.91 KDM4E (0.38) KDM4EGAAHSD17B10HPGDALDH1A1
SCHEMBL18197358 0.90 MAPT (0.38) KDM4EGAAHSD17B10HPGDALDH1A1
SCHEMBL18197348 0.89 BRD4 (0.47) ALDH2PDE3BPDE3AP2RY12PTPN1
SCHEMBL20175923 0.88 MAPT (0.41) KDM4EGAAHSD17B10HPGDALDH1A1
SCHEMBL18197343 0.87 PDK2 (0.45) ALDH2PDE3BPDE3AP2RY12MAPT
SCHEMBL20175912 0.86 PTPN11 (0.40) GAAALDH1A1MAPTLMNAMAPK1
SCHEMBL20175921 0.86 PTPN11 (0.40) GAAALDH1A1MAPTLMNAMAPK1

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 3 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
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.