SCHEMBL17360659

SCHEMBL17360659

COc1ccc(CN2C(=O)C(S)N(Cc3ccc(OC)cc3)C(=O)C2S)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.56
GSK3A P49840 1/20 0.53
GSK3B P49841 1/20 0.53
MMP1 P03956 4/20 0.50
MMP9 P14780 4/20 0.50
MMP3 P08254 2/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
HKDC1 Q2TB90 1/20 0.46
IDO1 P14902 1/20 0.46
P2RX4 Q99571 1/20 0.45
HCRTR1 O43613 1/20 0.45
HCRTR2 O43614 1/20 0.45

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
SCHEMBL17975443 0.89 MAPT (0.61) CMA1MMP1MMP9MMP3MEN1
SCHEMBL17360669 0.85 MMP1 (0.53) CMA1GSK3AGSK3BMMP1MMP9
SCHEMBL17971352 0.80 CMA1 (0.52) CMA1MMP1MMP9MMP3MEN1
SCHEMBL17360668 0.79 CMA1 (0.56) CMA1GSK3AGSK3BMMP1MMP9
SCHEMBL17360678 0.79 EHMT2 (0.61) CMA1GSK3AGSK3BMMP1MMP9
SCHEMBL17360672 0.76 EHMT2 (0.56) CMA1GSK3AGSK3BMMP1MMP9
SCHEMBL17971340 0.74 EHMT2 (0.54) CMA1GSK3AGSK3BMMP1MMP9
SCHEMBL17971353 0.74 EHMT2 (0.54) CMA1GSK3AGSK3BMEN1KMT2A
SCHEMBL30282904 0.73 CMA1 (0.45) CMA1GSK3AGSK3BMMP1MMP9
SCHEMBL30282924 0.73 CMA1 (0.45) CMA1GSK3AGSK3BMMP1MMP9

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
EP-2958926-B1 EPIDITHIODIOXOPIPERAZINE COMPOUND OR ITS DERIVATIVES, AND THE USE THEREOF VASTHERA CO LTD (KR) 2023-03-08 EP disclosed
US-10450327-B2 Epidithiodioxopiperazine compound or its derivatives, and the use thereof VASTHERA CO. LTD. (KR) 2019-10-22 US disclosed
US-20180305377-A1 EPIDITHIODIOXOPIPERAZINE COMPOUND OR ITS DERIVATIVES, AND THE USE THEREOF EWHA UNIVERSITY-INDUSTRY COLLABORATION FOUNDATION (KR) 2018-10-25 US disclosed
CN-105229013-B Epidithio dioxypiperazine piperazine compound or its derivative, and application thereof 梨花女子大学校产学协力团 2018-09-14 CN disclosed
US-9765090-B2 Epidithiodioxopiperazine compound or its derivatives, and the use thereof EWHA UNIVERSITY-INDUSTRY COLLABORATION FOUNDATION (KR) 2017-09-19 US disclosed
US-20170239261-A1 EPIDITHIODIOXOPIPERAZINE COMPOUND OR ITS DERIVATIVES, AND THE USE THEREOF VASTHERA CO. LTD. (KR) 2017-08-24 US disclosed
US-20160222031-A1 EPIDITHIODIOXOPIPERAZINE COMPOUND OR ITS DERIVATIVES, AND THE USE THEREOF EWHA UNIVERSITY-INDUSTRY COLLABORATION FOUNDATION (KR) 2016-08-04 US disclosed
EP-2958926-A1 EPIDITHIODIOXOPIPERAZINE COMPOUND OR ITS DERIVATIVES, AND THE USE THEREOF Ewha University-Industry Collaboration Foundation (KR) 2015-12-30 EP 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-20170239261-A1 EPIDITHIODIOXOPIPERAZINE COMPOUND OR ITS DERIVATIVES, AND THE USE THEREOF PRDX1, PRDX2, PRDX5 CMA1 1986/4885GSK3A 3469/4885GSK3B 2982/4885
US-20160222031-A1 EPIDITHIODIOXOPIPERAZINE COMPOUND OR ITS DERIVATIVES, AND THE USE THEREOF PRDX1, PRDX2, PRDX5 CMA1 1986/4885GSK3A 3469/4885GSK3B 2982/4885
US-10450327-B2 Epidithiodioxopiperazine compound or its derivatives, and the use thereof PRDX1, PRDX2, PRDX5 CMA1 1986/4885GSK3A 3469/4885GSK3B 2982/4885
US-20180305377-A1 EPIDITHIODIOXOPIPERAZINE COMPOUND OR ITS DERIVATIVES, AND THE USE THEREOF PRDX1, PRDX2, PRDX5 CMA1 1986/4885GSK3A 3469/4885GSK3B 2982/4885

“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.