SCHEMBL21683255

SCHEMBL21683255

COC(=O)C1(NC(=O)[C@H](Cc2ccc(C(N)=O)cc2)NC(=O)OC(C)(C)C)CCCC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 8/20 0.45
▸ CTSK P43235 7/20 0.45
▸ CTSB P07858 2/20 0.44
▸ CTSL P07711 1/20 0.44
▸ REN P00797 2/20 0.41
▸ HDAC8 Q9BY41 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ AKT1 P31749 1/20 0.40
▸ ITGB3 P05106 2/20 0.40
▸ ITGA2B P08514 2/20 0.40
▸ DPP8 Q6V1X1 1/20 0.40
▸ DPP9 Q86TI2 1/20 0.40
▸ ITGB1 P05556 1/20 0.40
▸ ITGAV P06756 1/20 0.40
▸ ITGB5 P18084 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
SCHEMBL21683256 1.00 CTSS (0.45) CTSSCTSKCTSBCTSLREN
SCHEMBL8484509 0.87 CACNA1B (0.50) CTSSCTSKCTSBCTSLHDAC8
SCHEMBL11337836 0.85 CTSS (0.60) CTSSCTSKCTSBCTSLHDAC8
SCHEMBL12029006 0.81 KLK5 (0.55) CTSSCTSKCTSBCTSLREN
SCHEMBL18067866 0.81 KLK5 (0.55) CTSSCTSKCTSBCTSLREN
SCHEMBL23924937 0.80 GRB2 (0.43) —
SCHEMBL23924939 0.80 GRB2 (0.43) —
SCHEMBL539770 0.78 CTSS (0.55) CTSSCTSKCTSBCTSLITGB3
SCHEMBL539771 0.78 CTSS (0.55) CTSSCTSKCTSBCTSLITGB3
SCHEMBL21683250 0.77 CTSS (0.50) CTSSCTSKCTSBCTSLREN

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 3 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
WO-2020033317-A1 PIPERAZINE-2,5-DIONES AS TGF-BETA INHIBITORS SOUTHERN RESEARCH INSTITUTE (US) 2020-02-13 — — 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 (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 CTSS 1930/4885CTSK 2284/4885CTSB 1319/4885
US-11505531-B2 Piperazine-2,5-diones as TGF-beta inhibitors TGFBR2, SMAD2, TGFB2 CTSS 1930/4885CTSK 2284/4885CTSB 1319/4885

“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.

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