SCHEMBL17360666

SCHEMBL17360666

CN1C(=O)C(CC(O)=S)N(C)C(=O)C1CC(O)=S

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.41
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL25937459 0.70 CAPN1 (0.47) CAPN1KDM4E
SCHEMBL25937442 0.67 CAPN1 (0.43) CAPN1KDM4E
SCHEMBL25937418 0.64 CAPN1 (0.41) CAPN1KDM4E
SCHEMBL26303973 0.64 CAPN1 (0.41) CAPN1NPSR1
SCHEMBL26304015 0.59 CAPN1 (0.37) CAPN1
SCHEMBL11999052 0.55 ADRA2C (0.48) KDM4E
SCHEMBL9665549 0.55 ADRA2C (0.47) CAPN1
SCHEMBL28231995 0.55 ADRA2C (0.40) CAPN1
SCHEMBL503017 0.55 KDM4E (0.38) CAPN1KDM4E
SCHEMBL10553865 0.53 ADRA2C (0.45) CAPN1

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 CAPN1 2475/4885TSHR 1755/4885NPSR1 1925/4885
US-20160222031-A1 EPIDITHIODIOXOPIPERAZINE COMPOUND OR ITS DERIVATIVES, AND THE USE THEREOF PRDX1, PRDX2, PRDX5 CAPN1 2475/4885TSHR 1755/4885NPSR1 1925/4885
US-10450327-B2 Epidithiodioxopiperazine compound or its derivatives, and the use thereof PRDX1, PRDX2, PRDX5 CAPN1 2475/4885TSHR 1755/4885NPSR1 1925/4885
US-20180305377-A1 EPIDITHIODIOXOPIPERAZINE COMPOUND OR ITS DERIVATIVES, AND THE USE THEREOF PRDX1, PRDX2, PRDX5 CAPN1 2475/4885TSHR 1755/4885NPSR1 1925/4885

“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.