SCHEMBL3124456

SCHEMBL3124456

CC(C)CC1NC(=O)C(Cc2ccccc2)NC1=O

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51
PAX8 Q06710 1/20 0.51
GHSR Q92847 5/20 0.49
SOAT2 O75908 1/20 0.49
SOAT1 P35610 1/20 0.49
HDAC8 Q9BY41 2/20 0.45
PLA2G10 O15496 1/20 0.44
PLA2G5 P39877 1/20 0.44

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
SCHEMBL17867151 1.00 GAA (0.51) GAAHTTPAX8GHSRSOAT2
SCHEMBL2864427 1.00 GAA (0.51) GAAHTTPAX8GHSRSOAT2
SCHEMBL6986236 0.91 HDAC3 (0.50) HDAC8
SCHEMBL30174305 0.91 HDAC3 (0.50) HDAC8
SCHEMBL6989670 0.91 HDAC3 (0.50) HDAC8
SCHEMBL29601883 0.91 HDAC3 (0.50) HDAC8
SCHEMBL29601701 0.91 HDAC3 (0.50) HDAC8
Zygosporamide SCHEMBL30789036 0.86 SOAT2 (0.51) GAAHTTPAX8GHSRSOAT2
SCHEMBL13399577 0.85 HDAC8 (0.56) GAAHDAC8PLA2G10PLA2G5
SCHEMBL10283637 0.85 HDAC8 (0.56) GAAHDAC8PLA2G10PLA2G5

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2594134-B1 USE OF AN AGRICULTURAL AGENT CONTAINING 2,5-DIKETOPIPERAZINE DERIVATIVE AS ACTIVE INGREDIENT REPUBLIC OF KOREA (MANAGEMENT: RURAL DEV ADMINISTRATION) (KR) 2017-08-02 EP claimed
US-20130190177-A1 AGRICULTURAL AGENT CONTAINING 2,5-DIKETOPIPERAZINE DERIVATIVE AS ACTIVE INGREDIENT Kongju National University Industry- University Cooperation Foundation (KR) 2013-07-25 US claimed
EP-2594134-A2 AGRICULTURAL CHEMICAL CONTAINING 2,5-DIKETOPIPERAZINE DERIVATIVE AS ACTIVE INGREDIENT Republic of Korea (Management: Rural Development Administration) (KR) 2013-05-22 EP claimed
US-11421223-B2 Processes and host cells for genome, pathway, and biomolecular engineering ENEVOLV, INC. (US) 2022-08-23 US disclosed
EP-3443054-B1 PROCESS FOR PRODUCING A COMBUSTIBLE PRODUCT INDUSTRIAL CHEMICALS GROUP LTD (GB) 2020-01-29 EP disclosed
US-20190309289-A1 PROCESSES AND HOST CELLS FOR GENOME, PATHWAY, AND BIOMOLECULAR ENGINEERING ENEVOLV, INC. 2019-10-10 US disclosed
US-10370654-B2 Processes and host cells for genome, pathway, and biomolecular engineering ENEVOLV, INC. (US) 2019-08-06 US disclosed
US-20190078032-A1 PROCESS FOR PRODUCING A COMBUSTIBLE PRODUCT INDUSTRIAL CHEMICALS GROUP LIMITED (GB) 2019-03-14 US disclosed
US-20180320170-A1 PROCESSES AND HOST CELLS FOR GENOME, PATHWAY, AND BIOMOLECULAR ENGINEERING ENEVOLV, INC. 2018-11-08 US disclosed
US-9944925-B2 Processes and host cells for genome, pathway, and biomolecular engineering ENEVOLV, INC. 2018-04-17 US disclosed
EP-3231856-A1 COMBUSTIBLE PRODUCT Industrial Chemicals Group Limited (GB) 2017-10-18 EP disclosed
US-8765309-B2 Electrochemical device KONICA MINOLTA HOLDINGS, INC. (JP) 2014-07-01 US disclosed
US-8765309-B2 Electrochemical device KONICA MINOLTA HOLDINGS, INC. (JP) 2014-07-01 US disclosed
US-20130190177-A1 AGRICULTURAL AGENT CONTAINING 2,5-DIKETOPIPERAZINE DERIVATIVE AS ACTIVE INGREDIENT Kongju National University Industry- University Cooperation Foundation (KR) 2013-07-25 US disclosed
EP-2594134-A2 AGRICULTURAL CHEMICAL CONTAINING 2,5-DIKETOPIPERAZINE DERIVATIVE AS ACTIVE INGREDIENT Republic of Korea (Management: Rural Development Administration) (KR) 2013-05-22 EP disclosed
US-20110143211-A1 ELECTROCHEMICAL DEVICE KONICA MINOLTA HOLDINGS, INC. (JP) 2011-06-16 US disclosed
US-20110143211-A1 ELECTROCHEMICAL DEVICE KONICA MINOLTA HOLDINGS, INC. (JP) 2011-06-16 US disclosed
US-20100009927-A1 Anti-Inflammatory and Anti-Allergy Extracts from Nettle HERBALSCIENCE GROUP LLC (US) 2010-01-14 US disclosed
US-20070048817-A1 Polynucleotides and polypeptides coded by said polynucleotides involved in the synthesis of diketopiperazine derivatives COMMISSARIAT A L' ENERGIE ATOMIQUE (FR) 2007-03-01 US disclosed
US-20050077648-A1 Solution casting method and polymer film FUJIFILM CORPORATION (JP) 2005-04-14 US 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 (1 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-20130190177-A1 AGRICULTURAL AGENT CONTAINING 2,5-DIKETOPIPERAZINE DERIVATIVE AS ACTIVE INGREDIENT HDHD5, DAZAP1, MAPKAPK5 GAA 531/4885HTT 1762/4885PAX8 3950/4885

“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.