SCHEMBL15029754

SCHEMBL15029754

COCCOCCOCCOc1ccc(C2=N[C@@](C)(C(=O)OC)CS2)c(O)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 6/20 0.36
KDM4E B2RXH2 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
CHEK1 O14757 1/20 0.36
BACE1 P56817 3/20 0.35
CHEK2 O96017 1/20 0.33
MIF P14174 1/20 0.33
ICAM1 P05362 1/20 0.33
SELE P16581 1/20 0.33
VCAM1 P19320 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
APP P05067 1/20 0.33
PPARG P37231 1/20 0.32
RECQL P46063 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
SCHEMBL12841233 1.00 OPRK1 (0.36) OPRK1KDM4ETDP1CHEK1BACE1
SCHEMBL18197338 0.93 ALK (0.36) KDM4ETDP1BACE1APPPPARG
SCHEMBL2637772 0.93 OPRK1 (0.35) OPRK1KDM4ETDP1CHEK1BACE1
SCHEMBL20175916 0.93 MAPT (0.34) KDM4ETDP1HSP90AA1APPPPARG
SCHEMBL1534182 0.91 OPRK1 (0.35) OPRK1KDM4ETDP1CHEK1BACE1
SCHEMBL30662548 0.91 OPRK1 (0.35) OPRK1KDM4ETDP1CHEK1BACE1
SCHEMBL1534231 0.91 OPRK1 (0.35) OPRK1KDM4ETDP1CHEK1BACE1
SCHEMBL12850782 0.91 OPRK1 (0.35) OPRK1KDM4ETDP1CHEK1BACE1
SCHEMBL11963439 0.91 SLC22A12 (0.37) OPRK1KDM4ETDP1CHEK1BACE1
SCHEMBL11963323 0.91 SLC22A12 (0.37) OPRK1KDM4ETDP1CHEK1BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220105078-A1 USES OF 4'-DESFERRITHIOCIN ANALOGS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2022-04-07 US disclosed
EP-2790697-B1 USES OF 4'-DESFERRITHIOCIN ANALOGS UNIV FLORIDA (US) 2019-10-23 EP disclosed
US-20170209420-A1 USES OF 4'-DESFERRITHIOCIN ANALOGS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2017-07-27 US disclosed
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-20140343110-A1 USES OF 4'-DESFERRITHIOCIN ANALOGS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2014-11-20 US disclosed
WO-2013090750-A1 USES OF 4'-DESFERRITHIOCIN ANALOGS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2013-06-20 WO disclosed
WO-2013086312-A1 ORAL FORMULATIONS FOR TREATING METAL OVERLOAD FERROKIN BIOSCIENCES, INC. (US) 2013-06-13 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 (3 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-20220105078-A1 USES OF 4'-DESFERRITHIOCIN ANALOGS TFRC, AIFM2, VIP OPRK1 825/4885KDM4E 4566/4885TDP1 3727/4885
US-20140343110-A1 USES OF 4'-DESFERRITHIOCIN ANALOGS TFRC, AIFM2, VIP OPRK1 792/4885KDM4E 4686/4885TDP1 3827/4885
US-20170209420-A1 USES OF 4'-DESFERRITHIOCIN ANALOGS TFRC, AIFM2, VIP OPRK1 792/4885KDM4E 4686/4885TDP1 3827/4885

“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.