SCHEMBL10330712

SCHEMBL10330712

COCCOCCOc1ccc(C2=NC(C)(C)CS2)c(O)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 6/20 0.37
MIF P14174 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
APP P05067 1/20 0.34
KDM4E B2RXH2 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
CHEK1 O14757 1/20 0.33
MAOA P21397 1/20 0.33
DYRK1A Q13627 1/20 0.33
RECQL P46063 1/20 0.33
BACE1 P56817 1/20 0.33
CHEK2 O96017 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL12526907 1.00 OPRK1 (0.37) OPRK1MIFHSP90AA1HSP90AB1NPC1
SCHEMBL10330713 0.96 HSP90AA1 (0.37) OPRK1MIFHSP90AA1HSP90AB1NPC1
SCHEMBL12526863 0.89 PDK2 (0.34) NPC1RAB9ASMN1; SMN2APPKDM4E
SCHEMBL15923274 0.86 SLC22A12 (0.37) OPRK1MIFKDM4ETDP1CHEK1
SCHEMBL16975985 0.86 OPRK1 (0.36) OPRK1MIFHSP90AA1HSP90AB1APP
Sp-420 SCHEMBL1314906 0.86 SLC22A12 (0.37) OPRK1MIFKDM4ETDP1CHEK1
SCHEMBL12852164 0.86 OPRK1 (0.36) OPRK1MIFHSP90AA1HSP90AB1APP
SCHEMBL11963323 0.86 SLC22A12 (0.37) OPRK1MIFKDM4ETDP1CHEK1
SCHEMBL18499305 0.86 OPRK1 (0.36) OPRK1MIFHSP90AA1HSP90AB1APP
SCHEMBL1315301 0.86 SLC22A12 (0.37) OPRK1MIFKDM4ETDP1CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170209420-A1 USES OF 4'-DESFERRITHIOCIN ANALOGS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2017-07-27 US disclosed
US-20140343110-A1 USES OF 4'-DESFERRITHIOCIN ANALOGS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2014-11-20 US disclosed
US-20120184586-A1 DESFERRITHIOCIN POLYETHER ANALOGUES AND USES THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-07-19 US disclosed
US-20110275636-A1 DESAZADESFERROTHIOCIN AND DESAZADESFERROTHIOCIN POLYETHER ANALOGUES AS METAL CHELATION AGENTS FERROKIN BIOSCIENCES, INC. (US) 2011-11-10 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 (4 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-20110275636-A1 DESAZADESFERROTHIOCIN AND DESAZADESFERROTHIOCIN POLYETHER ANALOGUES AS METAL CHELATION AGENTS SLC39A14, SLC40A1, FTH1 OPRK1 2173/4885MIF 3549/4885HSP90AA1 1429/4885
US-20120184586-A1 DESFERRITHIOCIN POLYETHER ANALOGUES AND USES THEREOF TFRC, FTH1, TTPA OPRK1 2243/4885MIF 3238/4885HSP90AA1 1214/4885
US-20140343110-A1 USES OF 4'-DESFERRITHIOCIN ANALOGS TFRC, AIFM2, VIP OPRK1 792/4885MIF 444/4885HSP90AA1 2827/4885
US-20170209420-A1 USES OF 4'-DESFERRITHIOCIN ANALOGS TFRC, AIFM2, VIP OPRK1 792/4885MIF 444/4885HSP90AA1 2827/4885

“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.