SCHEMBL20176131

SCHEMBL20176131

CCCOCCOc1ccc(C2=N[C@@](C)(C(=O)OCCC)CS2)c(O)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.36
MEN1 O00255 6/20 0.36
KMT2A Q03164 6/20 0.36
USP2 O75604 4/20 0.36
NPSR1 Q6W5P4 4/20 0.36
TP53 P04637 3/20 0.36
ALDH1A1 P00352 3/20 0.36
POLB P06746 3/20 0.36
ALOX12 P18054 3/20 0.36
XBP1 P17861 2/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 2/20 0.36
HSP90AA1 P07900 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 1/20 0.36
GAA P10253 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
NPC1 O15118 1/20 0.34
ALOX15 P16050 3/20 0.34

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
SCHEMBL20175926 0.96 MEN1 (0.38) MAPTMEN1KMT2AUSP2NPSR1
SCHEMBL18197356 0.95 MAPT (0.35) MAPTMEN1KMT2AUSP2NPSR1
SCHEMBL20175920 0.95 MEN1 (0.38) MAPTMEN1KMT2AUSP2NPSR1
SCHEMBL18197351 0.93 MAPT (0.37) MAPTMEN1KMT2AUSP2NPSR1
SCHEMBL20176130 0.93 MEN1 (0.41) MAPTMEN1KMT2AUSP2NPSR1
SCHEMBL20175916 0.92 MAPT (0.34) MAPTMEN1KMT2AUSP2NPSR1
SCHEMBL20175924 0.91 MEN1 (0.44) MAPTMEN1KMT2AUSP2NPSR1
SCHEMBL18197312 0.91 MEN1 (0.38) MAPTMEN1KMT2AUSP2ALDH1A1
SCHEMBL20175922 0.90 PTPN11 (0.40) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL18197358 0.90 MAPT (0.38) MAPTMEN1KMT2AUSP2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20180140581-A1 METABOLICALLY PROGRAMMED METAL CHELATORS AND USES THEREOF FECH, SLC19A1, SLC40A1 MAPT 3805/4885MEN1 741/4885KMT2A 2059/4885

“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.