SCHEMBL21683246

SCHEMBL21683246

COC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(C(N)=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LNPEP Q9UIQ6 7/20 0.42
▸ ERAP2 Q6P179 4/20 0.42
▸ GRB2 P62993 1/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ NR1H4 Q96RI1 1/20 0.40
▸ CSK P41240 1/20 0.39
▸ TPH1 P17752 1/20 0.39
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ ERAP1 Q9NZ08 1/20 0.38
▸ PARP10 Q53GL7 2/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ PARP1 P09874 1/20 0.37
▸ PARP2 Q9UGN5 1/20 0.37
▸ PARP4 Q9UKK3 1/20 0.37
▸ ALDH1A1 P00352 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
SCHEMBL21683247 1.00 LNPEP (0.42) LNPEPERAP2GRB2EPHX2NR1H4
SCHEMBL23943305 0.86 GRB2 (0.41) LNPEPERAP2GRB2EPHX2CSK
SCHEMBL21683250 0.80 CTSS (0.50) —
SCHEMBL21683249 0.80 CTSS (0.50) —
SCHEMBL18067861 0.77 ALDH1A1 (0.49) LNPEPERAP2TPH1ERAP1PARP10
SCHEMBL30014801 0.73 PPID (0.46) HDAC6PARP10
SCHEMBL29531634 0.72 SLC7A5 (0.57) LNPEPERAP2
SCHEMBL8098048 0.72 GRB2 (0.38) GRB2ALDH1A1
SCHEMBL20951916 0.71 GAA (0.41) GRB2CSK
SCHEMBL20950945 0.71 CYP1A2 (0.40) GRB2CSK

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 LNPEP 1859/4885ERAP2 179/4885GRB2 993/4885
US-11505531-B2 Piperazine-2,5-diones as TGF-beta inhibitors TGFBR2, SMAD2, TGFB2 LNPEP 1859/4885ERAP2 179/4885GRB2 993/4885

“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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