SCHEMBL5065823

SCHEMBL5065823

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

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.67
ITGA2B P08514 1/20 0.67
ACE P12821 1/20 0.61
ABCB1 P08183 1/20 0.61
PTPN1 P18031 3/20 0.57
CTSS P25774 6/20 0.55
CTSK P43235 5/20 0.55
CTSL P07711 1/20 0.54
CTSB P07858 1/20 0.54
PPARA Q07869 6/20 0.54
PPARG P37231 5/20 0.54
HDAC8 Q9BY41 1/20 0.53
ITGA4 P13612 1/20 0.53
ITGB7 P26010 1/20 0.53
PPARD Q03181 2/20 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
SCHEMBL1311509 1.00 ITGB3 (0.67) ITGB3ITGA2BACEABCB1PTPN1
SCHEMBL1062486 1.00 ITGB3 (0.67) ITGB3ITGA2BACEABCB1PTPN1
SCHEMBL3824555 0.92 ACE (0.62) ITGB3ITGA2BACEABCB1PTPN1
SCHEMBL16448042 0.91 ITGB3 (0.64) ITGB3ITGA2BACEABCB1PTPN1
SCHEMBL12975375 0.91 ITGB3 (0.64) ITGB3ITGA2BACEABCB1PTPN1
SCHEMBL27569374 0.90 ITGB3 (0.56) ITGB3ITGA2BACEABCB1PTPN1
SCHEMBL27569376 0.90 ITGB3 (0.56) ITGB3ITGA2BACEABCB1PTPN1
SCHEMBL11436862 0.89 ABCB1 (0.56) ITGB3ITGA2BACEABCB1PTPN1
SCHEMBL1308867 0.89 ITGB3 (0.67) ITGB3ITGA2BACEPTPN1CTSS
SCHEMBL13252087 0.89 ABCB1 (0.58) ITGB3ITGA2BACEABCB1PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4425181-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE Bertis Inc (KR) 2024-09-04 EP disclosed
US-20240011979-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTES BERTIS INC. (KR) 2024-01-11 US disclosed
EP-4255885-A1 IODOTYROSINE DERIVATIVES AND PROCESS FOR PREPARING IODOTYROSINE DERIVATIVES ABX Advanced Biochemical Compounds GmbH (DE) 2023-10-11 EP disclosed
WO-2023075435-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE 주식회사 베르티스 2023-05-04 WO disclosed
US-20230001024-A1 CROSS-LINKING COMPOUNDS AND METHODS OF USE THEREOF NORTH CAROLINA STATE UNIVERSITY 2023-01-05 US disclosed
US-20220283131-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTES BERTIS CO., LTD. (KR) 2022-09-08 US disclosed
EP-4008713-A1 IODINE TYROSINE DERIVATIVES AND METHOD FOR THE PREPARATION OF IODINE TYROSINE DERIVATIVES ABX Advanced Biochemical Compounds GmbH (DE) 2022-06-08 EP disclosed
WO-2022050529-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE ㈜베르티스 2022-03-10 WO disclosed
WO-2015090216-A1 6, 7-DIMETHOXY-1, 2, 3, 4-TETRAHYDROISOQUINOLINE DERIVATIVE AND MANUFACTURING METHOD THEREOF, PHARMACEUTICAL COMPOSITION COMPRISED THEREOF, AND APPLICATION THEREOF 沈阳药科大学 2015-06-25 WO disclosed
US-20080318947-A1 Inhibitors of Akt Activity HEERDING DIRK A 2008-12-25 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-20230001024-A1 CROSS-LINKING COMPOUNDS AND METHODS OF USE THEREOF AOX1, MTCL3, COL1A1 ITGB3 214/4885ITGA2B 145/4885ACE 2382/4885
US-20080318947-A1 Inhibitors of Akt Activity PI4KB, PIK3CA, AKT2 ITGB3 3387/4885ITGA2B 1964/4885ACE 4185/4885

“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.