SCHEMBL23925017

SCHEMBL23925017

COC(=O)C1(NC(=O)[C@H](Cc2ccc(NC(=O)OCC3c4ccccc4-c4ccccc43)cc2)NC(=O)OC(C)(C)C)CCC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.42
▸ CTSS P25774 3/20 0.40
▸ CTSK P43235 2/20 0.40
▸ CTSL P07711 1/20 0.40
▸ CTSB P07858 1/20 0.40
▸ EPHX2 P34913 1/20 0.39
▸ CCKAR P32238 2/20 0.39
▸ CCKBR P32239 2/20 0.39
▸ SCN9A Q15858 2/20 0.38
▸ DPP8 Q6V1X1 1/20 0.38
▸ DPP9 Q86TI2 1/20 0.38
▸ ACE P12821 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
SCHEMBL23925019 1.00 MDM2 (0.45) MDM2HDAC8CTSSCTSKCTSL
SCHEMBL23924903 0.98 MDM2 (0.44) MDM2HDAC8CTSSCTSKCTSL
SCHEMBL23924902 0.98 MDM2 (0.44) MDM2HDAC8CTSSCTSKCTSL
SCHEMBL21683221 0.86 MDM2 (0.41) MDM2EPHX2SCN9A
SCHEMBL23925185 0.85 EPHX2 (0.43) EPHX2
SCHEMBL23925183 0.85 EPHX2 (0.43) EPHX2
SCHEMBL21683283 0.84 MDM2 (0.41) MDM2EPHX2SCN9A
SCHEMBL2249260 0.83 MDM2 (0.58) MDM2HDAC8CTSSCTSKCTSL
SCHEMBL503172 0.83 MDM2 (0.58) MDM2HDAC8CTSSCTSKCTSL
SCHEMBL371161 0.83 MDM2 (0.58) MDM2HDAC8CTSSCTSKCTSL

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11505531-B2 Piperazine-2,5-diones as TGF-beta inhibitors UAB RESEARCH FOUNDATION (US) 2022-11-22 — — US disclosed
US-20210323933-A1 PIPERAZINE-2,5-DIONES AS TGF-BETA INHIBITORS UAB RESEARCH FOUNDATION (US) 2021-10-21 — — 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 (2 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-20210323933-A1 PIPERAZINE-2,5-DIONES AS TGF-BETA INHIBITORS TGFBR2, SMAD2, TGFB2 MDM2 1722/4885HDAC8 202/4885CTSS 1930/4885
US-11505531-B2 Piperazine-2,5-diones as TGF-beta inhibitors TGFBR2, SMAD2, TGFB2 MDM2 1722/4885HDAC8 202/4885CTSS 1930/4885

“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.

Send feedback