SCHEMBL17360682

SCHEMBL17360682

COc1ccc(CN2C(=O)C3NC(=O)C2SS3)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.49
MMP1 P03956 5/20 0.48
MMP9 P14780 4/20 0.48
MMP3 P08254 2/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
ALDH1A1 P00352 2/20 0.43
EHMT2 Q96KQ7 1/20 0.42
TSHR P16473 1/20 0.41
GAA P10253 1/20 0.40
MMP13 P45452 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL23054695 1.00 CMA1 (0.49) CMA1MMP1MMP9MMP3MEN1
SCHEMBL17360678 0.82 EHMT2 (0.61) CMA1MMP1MMP9MMP3MEN1
SCHEMBL17360672 0.79 EHMT2 (0.56) CMA1MMP1MMP9MMP3MEN1
SCHEMBL17971340 0.77 EHMT2 (0.54) CMA1MMP1MMP9MMP3MEN1
SCHEMBL17971353 0.77 EHMT2 (0.54) CMA1MEN1KMT2AGSK3AGSK3B
SCHEMBL17360669 0.72 MMP1 (0.53) CMA1MMP1MMP9MMP3MEN1
SCHEMBL17360668 0.70 CMA1 (0.56) CMA1MMP1MMP9MMP3MEN1
SCHEMBL17360659 0.70 CMA1 (0.56) CMA1MMP1MMP9MMP3MEN1
SCHEMBL14813902 0.69 MMP1 (0.56) CMA1MMP1MMP9MMP3MEN1
SCHEMBL21847080 0.69 KDM4E (0.51) CMA1MMP1MMP9MMP3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3650026-B1 EPIDITHIODIOXOPIPERAZINE COMPOUND OR DERIVATIVE THEREOF, OR PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING PULMONARY HYPERTENSION, CONTAINING PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF VASTHERA CO LTD (KR) 2025-10-01 EP disclosed
EP-2958926-B1 EPIDITHIODIOXOPIPERAZINE COMPOUND OR ITS DERIVATIVES, AND THE USE THEREOF VASTHERA CO LTD (KR) 2023-03-08 EP disclosed
EP-3650026-A1 EPIDITHIODIOXOPIPERAZINE COMPOUND OR DERIVATIVE THEREOF, OR PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING PULMONARY HYPERTENSION, CONTAINING PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF VASTHERA Co. Ltd. (KR) 2020-05-13 EP disclosed
US-10450327-B2 Epidithiodioxopiperazine compound or its derivatives, and the use thereof VASTHERA CO. LTD. (KR) 2019-10-22 US disclosed
US-10450327-B2 Epidithiodioxopiperazine compound or its derivatives, and the use thereof VASTHERA CO. LTD. (KR) 2019-10-22 US disclosed
US-20190298732-A1 PHARMACEUTICAL COMPOSITION COMPRISING EPIDITHIODIOXOPIPERAZINE COMPOUND OR DERIVATIVE THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, FOR PREVENTING OR TREATING PULMONARY HYPERTENSION VASTHERA CO. LTD (KR) 2019-10-03 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
US-9765090-B2 Epidithiodioxopiperazine compound or its derivatives, and the use thereof EWHA UNIVERSITY-INDUSTRY COLLABORATION FOUNDATION (KR) 2017-09-19 US 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-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-20170239261-A1 EPIDITHIODIOXOPIPERAZINE COMPOUND OR ITS DERIVATIVES, AND THE USE THEREOF VASTHERA CO. LTD. (KR) 2017-08-24 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
US-20160222031-A1 EPIDITHIODIOXOPIPERAZINE COMPOUND OR ITS DERIVATIVES, AND THE USE THEREOF EWHA UNIVERSITY-INDUSTRY COLLABORATION FOUNDATION (KR) 2016-08-04 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 (5 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 1986/4885MMP1 484/4885MMP9 1201/4885
US-20190298732-A1 PHARMACEUTICAL COMPOSITION COMPRISING EPIDITHIODIOXOPIPERAZINE COMPOUND OR DERIVATIVE THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, FOR PREVENTING OR TREATING PULMONARY HYPERTENSION IL5, NPPA, REN CMA1 2495/4885MMP1 1853/4885MMP9 2893/4885
US-20160222031-A1 EPIDITHIODIOXOPIPERAZINE COMPOUND OR ITS DERIVATIVES, AND THE USE THEREOF PRDX1, PRDX2, PRDX5 CMA1 1986/4885MMP1 484/4885MMP9 1201/4885
US-10450327-B2 Epidithiodioxopiperazine compound or its derivatives, and the use thereof PRDX1, PRDX2, PRDX5 CMA1 1986/4885MMP1 484/4885MMP9 1201/4885
US-20180305377-A1 EPIDITHIODIOXOPIPERAZINE COMPOUND OR ITS DERIVATIVES, AND THE USE THEREOF PRDX1, PRDX2, PRDX5 CMA1 1986/4885MMP1 484/4885MMP9 1201/4885

“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.