SCHEMBL17360671

SCHEMBL17360671

COc1ccc(CC23NC(=O)C(Cc4ccc(OC)cc4)(NC2=O)SS3)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.47
MMP9 P14780 6/20 0.47
MMP8 P22894 6/20 0.47
MMP13 P45452 6/20 0.47
NPSR1 Q6W5P4 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 1/20 0.45
CMA1 P23946 1/20 0.42
GLA P06280 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.41
PIM1 P11309 1/20 0.41
AKR1B1 P15121 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
EP300 Q09472 1/20 0.40
HIF1A Q16665 1/20 0.40
GAA P10253 1/20 0.40
GSK3A P49840 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
SCHEMBL5443745 0.74 MMP2 (0.70) MMP2MMP9MMP8MMP13NPSR1
SCHEMBL542639 0.72 SMN1; SMN2 (0.73) MMP2MMP9MMP8MMP13NPSR1
SCHEMBL19559791 0.71 MMP2 (0.45) MMP2MMP9MMP8MMP13NPSR1
SCHEMBL11607926 0.70 SMN1; SMN2 (0.57) MMP2MMP9MMP8MMP13NPSR1
SCHEMBL11604698 0.68 SMN1; SMN2 (0.58) MMP2MMP9MMP8MMP13NPSR1
SCHEMBL11080778 0.68 SMN1; SMN2 (0.51) MMP2MMP9MMP8MMP13NPSR1
SCHEMBL17294160 0.67 MMP2 (0.53) MMP2MMP9MMP8MMP13NPSR1
SCHEMBL10582556 0.66 MMP2 (0.43) MMP2MMP9MMP8MMP13NPSR1
SCHEMBL3265371 0.65 IDO1 (0.45) MMP2MMP9MMP8MMP13SMN1; SMN2
SCHEMBL8115482 0.64 ALDH1A1 (0.48) MMP2MMP9MMP8MMP13NPSR1

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 7 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
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 MMP2 666/4885MMP9 1201/4885MMP8 2578/4885
US-20160222031-A1 EPIDITHIODIOXOPIPERAZINE COMPOUND OR ITS DERIVATIVES, AND THE USE THEREOF PRDX1, PRDX2, PRDX5 MMP2 666/4885MMP9 1201/4885MMP8 2578/4885
US-10450327-B2 Epidithiodioxopiperazine compound or its derivatives, and the use thereof PRDX1, PRDX2, PRDX5 MMP2 666/4885MMP9 1201/4885MMP8 2578/4885
US-20180305377-A1 EPIDITHIODIOXOPIPERAZINE COMPOUND OR ITS DERIVATIVES, AND THE USE THEREOF PRDX1, PRDX2, PRDX5 MMP2 666/4885MMP9 1201/4885MMP8 2578/4885

“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.