SCHEMBL20176130

SCHEMBL20176130

CCCCOc1ccc(C2=N[C@@](C)(C(=O)OCCC)CS2)c(O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
MAPT P10636 5/20 0.41
ALDH1A1 P00352 3/20 0.41
RAB9A P51151 2/20 0.41
GAA P10253 2/20 0.41
NPC1 O15118 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
USP2 O75604 3/20 0.38
TP53 P04637 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
POLB P06746 2/20 0.38
ALOX12 P18054 2/20 0.38
HPGD P15428 1/20 0.38
XBP1 P17861 1/20 0.38
HTT P42858 1/20 0.38
HSP90AA1 P07900 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTPN11 Q06124 2/20 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
SCHEMBL20175922 0.97 PTPN11 (0.40) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL20176129 0.97 PTPN11 (0.40) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL20175918 0.97 MEN1 (0.42) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL18197357 0.94 BRD4 (0.40) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL20175913 0.94 PTPN11 (0.41) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL20175914 0.94 PTPN11 (0.41) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL20175924 0.94 MEN1 (0.44) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL20175923 0.94 MAPT (0.41) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL18197345 0.93 CNR2 (0.36) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL18197346 0.93 MAPT (0.35) MEN1KMT2AMAPTALDH1A1RAB9A

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 MEN1 741/4885KMT2A 2059/4885MAPT 3805/4885

“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.