SCHEMBL25717754

SCHEMBL25717754

CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)ON1C(=O)c2ccccc2C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ PLA2G1B P04054 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ XBP1 P17861 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ ATG4B Q9Y4P1 1/20 0.45
▸ CTSK P43235 3/20 0.44
▸ CTSL P07711 1/20 0.44
▸ CTSB P07858 1/20 0.44
▸ CTSS P25774 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ REN P00797 2/20 0.44
▸ PSEN1 P49768 2/20 0.43
▸ PSEN2 P49810 2/20 0.43
▸ APH1B Q8WW43 2/20 0.43
▸ NCSTN Q92542 2/20 0.43
▸ APH1A Q96BI3 2/20 0.43

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
SCHEMBL23969586 0.90 REN (0.59) CTSKCTSLCTSBCTSSMAPK1
SCHEMBL29356685 0.90 REN (0.59) CTSKCTSLCTSBCTSSMAPK1
SCHEMBL21848512 0.88 PPARA (0.45) ALDH1A1MAPTNPSR1KDM4EPLA2G1B
SCHEMBL21834841 0.85 CTSS (0.56) CTSKCTSLCTSBCTSS
SCHEMBL21848419 0.85 HDAC4 (0.43) ALDH1A1CTSKCTSLCTSBCTSS
SCHEMBL30998336 0.84 EPHX2 (0.45) ALDH1A1MAPTKDM4EHPGDHTT
SCHEMBL21848451 0.83 EPHX2 (0.52) ALDH1A1MAPTKDM4EHPGDCTSK
SCHEMBL21848514 0.82 PTPN1 (0.48) CTSKCTSLCTSBCTSSREN
SCHEMBL21848524 0.81 CTSS (0.47) CTSKCTSLCTSBCTSS
SCHEMBL21848401 0.81 CTSS (0.47) CTSKCTSLCTSBCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357312-A1 Borylated Di-Peptide Amino Acid compositions for use in Boron Neutron Capture Therapy and methods thereof TAE LIFE SCIENCES LLC 2023-11-09 — — US disclosed
WO-2023113843-A2 BORYLATED DI-PEPTIDE AMINO ACID COMPOSITIONS FOR USE IN BORON NEUTRON CAPTURE THERAPY AND METHODS THEREOF TAE Life Sciences (US) 2023-06-22 — — 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-20230357312-A1 Borylated Di-Peptide Amino Acid compositions for use in Boron Neutron Capture Therapy and methods thereof NPPA, BCAT2, BCAT1 ALDH1A1 4300/4885MAPT 2030/4885NPSR1 89/4885

“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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