SCHEMBL3269625

SCHEMBL3269625

CC(C)C1NC(=O)CNC1=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSD P07339 11/20 0.40
HDAC1 Q13547 7/20 0.38
HDAC3 O15379 4/20 0.38
HDAC4 P56524 4/20 0.38
HDAC7 Q8WUI4 4/20 0.38
HDAC2 Q92769 4/20 0.38
HDAC10 Q969S8 4/20 0.38
HDAC11 Q96DB2 4/20 0.38
HDAC8 Q9BY41 4/20 0.38
HDAC6 Q9UBN7 4/20 0.38
HDAC9 Q9UKV0 4/20 0.38
HDAC5 Q9UQL6 4/20 0.38
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 0.36
ITGAV P06756 1/20 0.34

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
SCHEMBL2872653 1.00 CTSD (0.40) CTSDHDAC1HDAC3HDAC4HDAC7
SCHEMBL5008495 1.00 CTSD (0.40) CTSDHDAC1HDAC3HDAC4HDAC7
SCHEMBL9182647 0.83 KEAP1 (0.41) CTSDHDAC1HDAC3HDAC4HDAC7
SCHEMBL18872524 0.81 CTSD (0.42) CTSDHDAC1HDAC3HDAC4HDAC7
SCHEMBL23754416 0.80 CTSD (0.40) CTSD
SCHEMBL31509493 0.80 CTSD (0.40) CTSD
SCHEMBL13250134 0.80 CTSD (0.40) CTSD
SCHEMBL18056086 0.79 CTSD (0.33) CTSD
SCHEMBL8135687 0.78 KEAP1 (0.31)
SCHEMBL4457510 0.78 PIK3CD (0.37) CTSDHDAC1HDAC3HDAC4HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10092786-B2 Fire extinguishing composition comprising aldoketones compound XI'AN WESTPEACE FIRE TECHNOLOGY CO., LTD. (CN) 2018-10-09 US claimed
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-20160332016-A1 Fire Extinguishing Composition Comprising Aldoketones Compound NANO FIRE, LLC 2016-11-17 US claimed
CN-103118540-B Pesticide containing 2, 5-diketopiperazine derivative as active ingredient Rural Development Office (KR) 2016-02-17 CN 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
CN-116925924-A England thistle endophytic fungi Bartalinia pondoensis wz03 and application thereof 华侨大学 2023-10-24 CN disclosed
CN-116925924-A England thistle endophytic fungi Bartalinia pondoensis wz03 and application thereof 华侨大学 2023-10-24 CN disclosed
US-10745400-B2 Inhibition of BMP signaling, compounds, compositions and uses thereof VANDERBUILT UNIVERSITY (US) 2020-08-18 US disclosed
US-20190284183-A1 INHIBITION OF BMP SIGNALING, COMPOUNDS, COMPOSITIONS AND USES THEREOF LA JOLLA PHARMACEUTICAL COMPANY 2019-09-19 US disclosed
US-10092786-B2 Fire extinguishing composition comprising aldoketones compound XI'AN WESTPEACE FIRE TECHNOLOGY CO., LTD. (CN) 2018-10-09 US disclosed
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 disclosed
US-20170210749-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2017-07-27 US disclosed
US-20030232837-A1 17-Beta hydroxysteroid dehydrogenase type 3 inhibitors for the treatment of androgen dependent diseases SCHERING CORPORATION 2003-12-18 US disclosed
WO-2003033487-A1 PIPERIDINE- AND PIPERAZINEACETAMINES AS 17BETA HYDROXYSTEROID DEHYDROGENASE TYPE 3 INHIBITORS FOR THE TREATMENT OF ANDROGEN DEPENDENT DISEASES SCHERING CORPORATION (US) 2003-04-24 WO disclosed
WO-2003022835-A1 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 INHIBITORS FOR THE TREATMENT OF ANDROGEN DEPENDENT DISEASES SCHERING CORPORATION (US) 2003-03-20 WO disclosed
US-20030008882-A1 Proteomimetic compounds and methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-01-09 US disclosed
WO-2002089738-A2 PROTEOMIMETIC COMPOUNDS AND METHODS YALE UNIVERSITY (US) 2002-11-14 WO disclosed
EP-1228066-A2 SULFONAMIDE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2002-08-07 EP disclosed
WO-2001032646-A2 SULFONAMIDE DERIVATIVES SMITHKLINE BEECHAM P.L.C. (GB) 2001-05-10 WO 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 (6 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-20030008882-A1 Proteomimetic compounds and methods PACSIN2, HSP90B1, PHLPP2 CTSD 2519/4885HDAC1 3491/4885HDAC3 3842/4885
US-20030232837-A1 17-Beta hydroxysteroid dehydrogenase type 3 inhibitors for the treatment of androgen dependent diseases HSD17B3, HSD17B1, HSD17B11 CTSD 2112/4885HDAC1 444/4885HDAC3 817/4885
US-20130190177-A1 AGRICULTURAL AGENT CONTAINING 2,5-DIKETOPIPERAZINE DERIVATIVE AS ACTIVE INGREDIENT HDHD5, DAZAP1, MAPKAPK5 CTSD 2473/4885HDAC1 130/4885HDAC3 431/4885
US-20170210749-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE RNASE1, GZMB, ANXA2 CTSD 1119/4885HDAC1 143/4885HDAC3 148/4885
US-20190284183-A1 INHIBITION OF BMP SIGNALING, COMPOUNDS, COMPOSITIONS AND USES THEREOF BMP1, BMP4, BMP2 CTSD 3480/4885HDAC1 1291/4885HDAC3 1131/4885
US-10745400-B2 Inhibition of BMP signaling, compounds, compositions and uses thereof BMP1, BMP4, BMP2 CTSD 3480/4885HDAC1 1291/4885HDAC3 1131/4885

“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.