SCHEMBL10330713

SCHEMBL10330713

COCCOc1ccc(C2=NC(C)(C)CS2)c(O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CHEK2 O96017 3/20 0.34
BACE1 P56817 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MIF P14174 2/20 0.33
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
OPRK1 P41145 3/20 0.33
TP53 P04637 2/20 0.33
ALOX15 P16050 2/20 0.33
ALOX12 P18054 2/20 0.33
MAPK1 P28482 2/20 0.33

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
SCHEMBL10330712 0.96 OPRK1 (0.37) HSP90AA1HSP90AB1NPC1RAB9ASMN1; SMN2
SCHEMBL12526907 0.96 OPRK1 (0.37) HSP90AA1HSP90AB1NPC1RAB9ASMN1; SMN2
SCHEMBL11963215 0.85 SLC22A12 (0.39) HSP90AA1HSP90AB1CHEK2BACE1SLC22A12
SCHEMBL12526863 0.85 PDK2 (0.34) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL18499304 0.85 MAOB (0.35) HSP90AA1HSP90AB1CHEK2BACE1SLC22A12
SCHEMBL18197371 0.83 PDK2 (0.42)
SCHEMBL18499305 0.82 OPRK1 (0.36) HSP90AA1HSP90AB1CHEK2BACE1MIF
SCHEMBL11963323 0.82 SLC22A12 (0.37) CHEK2BACE1MIFSLC22A12OPRK1
SCHEMBL16975985 0.82 OPRK1 (0.36) HSP90AA1HSP90AB1CHEK2BACE1MIF
SCHEMBL11963439 0.82 SLC22A12 (0.37) CHEK2BACE1MIFSLC22A12OPRK1

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
EP-3190106-A1 DESFERRITHIOCIN POLYETHER ANALOGUES University of Florida Research Foundation, Inc. (US) 2017-07-12 EP disclosed
US-20120184586-A1 DESFERRITHIOCIN POLYETHER ANALOGUES AND USES THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-07-19 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-20120184586-A1 DESFERRITHIOCIN POLYETHER ANALOGUES AND USES THEREOF TFRC, FTH1, TTPA HSP90AA1 1214/4885HSP90AB1 1151/4885NPC1 2126/4885

“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.