SCHEMBL21683121

SCHEMBL21683121

CC(C)(C)OC(=O)NC(Cc1ccc(C(N)=O)cc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.60
ITGB3 P05106 2/20 0.60
ITGA2B P08514 2/20 0.60
ITGB1 P05556 1/20 0.58
ITGAV P06756 1/20 0.58
ITGB5 P18084 1/20 0.58
PPARA Q07869 9/20 0.56
PPARG P37231 8/20 0.56
PPARD Q03181 2/20 0.56
CTSS P25774 6/20 0.54
CTSK P43235 5/20 0.54
CTSL P07711 1/20 0.53
CTSB P07858 1/20 0.53
ITGA4 P13612 1/20 0.52
ITGB7 P26010 1/20 0.52
PTPN1 P18031 1/20 0.51

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
SCHEMBL6247819 1.00 ACE (0.60) ACEITGB3ITGA2BITGB1ITGAV
SCHEMBL14250272 1.00 ACE (0.60) ACEITGB3ITGA2BITGB1ITGAV
SCHEMBL27341117 0.90 ACE (0.58) ACEITGB3ITGA2BITGB1ITGAV
SCHEMBL7394806 0.90 ACE (0.58) ACEITGB3ITGA2BITGB1ITGAV
SCHEMBL7296608 0.90 ACE (0.58) ACEITGB3ITGA2BITGB1ITGAV
SCHEMBL7394803 0.90 ACE (0.58) ACEITGB3ITGA2BITGB1ITGAV
SCHEMBL7388523 0.89 ACE (0.62) ACEITGB3ITGA2BITGB1ITGAV
SCHEMBL7388520 0.89 ACE (0.62) ACEITGB3ITGA2BITGB1ITGAV
Iodide SCHEMBL7301004 0.89 ACE (0.57) ACEITGB3ITGA2BITGB1ITGAV
Hydrochloric Acid SCHEMBL5671540 0.89 ACE (0.57) ACEITGB3ITGA2BITGB1ITGAV

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 4 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
CN-103582644-B Phthalazinone-Pyrrolopyrimidine Carboxamide Derivatives 塔科达有限责任公司 2016-07-20 CN 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 ACE 2029/4885ITGB3 272/4885ITGA2B 509/4885
US-11505531-B2 Piperazine-2,5-diones as TGF-beta inhibitors TGFBR2, SMAD2, TGFB2 ACE 2029/4885ITGB3 272/4885ITGA2B 509/4885

“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.