SCHEMBL26310979

SCHEMBL26310979

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(NC(=O)CCBr)cc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.59
ITGB3 P05106 2/20 0.55
ITGA2B P08514 2/20 0.55
ITGB1 P05556 1/20 0.55
ITGAV P06756 1/20 0.55
ITGB5 P18084 1/20 0.55
HDAC8 Q9BY41 1/20 0.52
CTSS P25774 6/20 0.50
CTSK P43235 5/20 0.50
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
PABPC1 P11940 1/20 0.47
PTPN1 P18031 3/20 0.47
ITGA4 P13612 1/20 0.47
ITGB7 P26010 1/20 0.47
PPARA Q07869 3/20 0.47
PPARG P37231 2/20 0.47
FOLH1 Q04609 1/20 0.46
PPARD Q03181 1/20 0.45

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
SCHEMBL10890972 0.87 ITGB3 (0.61) ACEITGB3ITGA2BITGB1ITGAV
SCHEMBL21639194 0.86 ITGB3 (0.59) ACEITGB3ITGA2BITGB1ITGAV
SCHEMBL21639193 0.86 ITGB3 (0.59) ACEITGB3ITGA2BITGB1ITGAV
SCHEMBL12835440 0.86 ACE (0.58) ACEITGB3ITGA2BITGB1ITGAV
SCHEMBL2729305 0.86 ITGB3 (0.58) ACEITGB3ITGA2BITGB1ITGAV
SCHEMBL15294493 0.85 ITGB3 (0.57) ACEITGB3ITGA2BITGB1ITGAV
SCHEMBL457677 0.85 ITGB3 (0.57) ACEITGB3ITGA2BITGB1ITGAV
SCHEMBL24513846 0.84 ITGB3 (0.59) ACEITGB3ITGA2BITGB1ITGAV
SCHEMBL29145387 0.84 ITGB3 (0.59) ACEITGB3ITGA2BITGB1ITGAV
SCHEMBL16448051 0.83 ACE (0.62) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260117274-A1 ORTHOGONALLY CROSSLINKED PROTEINS, METHODS OF MAKING, AND USES THEREOF UNIV NEW YORK STATE RES FOUND (US) 2026-04-30 US disclosed
CN-119213061-A Cross-linked protein, method for producing the same and use thereof 纽约州立大学研究基金会 2024-12-27 CN disclosed
WO-2023178107-A2 ORTHOGONALLY CROSSLINKED PROTEINS, METHODS OF MAKING, AND USES THEREOF THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2023-09-21 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 (1 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-20260117274-A1 ORTHOGONALLY CROSSLINKED PROTEINS, METHODS OF MAKING, AND USES THEREOF PTMS, PSMG3, PSMB3 ACE 1510/4885ITGB3 765/4885ITGA2B 3259/4885

“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.