SCHEMBL17360650

SCHEMBL17360650

CCCCN1C(=O)C2SSC1C(=O)N2CCCC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.57
TP53 P04637 1/20 0.57
TDP1 Q9NUW8 3/20 0.47
ABL1 P00519 2/20 0.47
RIN1 Q13671 2/20 0.47
GBA1 P04062 1/20 0.44
RGS4 P49798 4/20 0.39
RGS8 P57771 2/20 0.39
EHMT2 Q96KQ7 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
GSK3B P49841 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KDM4A O75164 1/20 0.37
USP2 O75604 1/20 0.37
POLB P06746 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL17360651 0.94 GAA (0.52) GAATP53TDP1ABL1RIN1
SCHEMBL17360664 0.77 ALDH1A1 (0.40) GAATP53RGS4RGS8EHMT2
SCHEMBL11371116 0.73 GBA1 (0.58) GAATP53TDP1ABL1RIN1
SCHEMBL17360674 0.73 GAA (0.52) GAATP53TDP1ABL1RIN1
SCHEMBL7192019 0.71 GAA (0.50) GAATP53TDP1ABL1RIN1
SCHEMBL1362917 0.71 GAA (0.50) GAATP53TDP1ABL1RIN1
SCHEMBL11482817 0.71 GAA (0.50) GAATP53TDP1ABL1RIN1
SCHEMBL1362145 0.69 GAA (0.47) GAATP53TDP1ABL1RIN1
SCHEMBL1362944 0.69 GAA (0.47) GAATP53TDP1ABL1RIN1
SCHEMBL1361363 0.69 GAA (0.47) GAATP53TDP1ABL1RIN1

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 15 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-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 GAA 4742/4885TP53 1718/4885TDP1 4485/4885
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 GAA 4573/4885TP53 3298/4885TDP1 3028/4885
US-20160222031-A1 EPIDITHIODIOXOPIPERAZINE COMPOUND OR ITS DERIVATIVES, AND THE USE THEREOF PRDX1, PRDX2, PRDX5 GAA 4742/4885TP53 1718/4885TDP1 4485/4885
US-10450327-B2 Epidithiodioxopiperazine compound or its derivatives, and the use thereof PRDX1, PRDX2, PRDX5 GAA 4742/4885TP53 1718/4885TDP1 4485/4885
US-20180305377-A1 EPIDITHIODIOXOPIPERAZINE COMPOUND OR ITS DERIVATIVES, AND THE USE THEREOF PRDX1, PRDX2, PRDX5 GAA 4742/4885TP53 1718/4885TDP1 4485/4885

“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.