SCHEMBL29346179

SCHEMBL29346179

C[C@](N)(Cc1ccc(OBO)c([N+](=O)[O-])c1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.48
▸ MAPT P10636 5/20 0.48
▸ GAA P10253 3/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ BLM P54132 2/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ USP2 O75604 1/20 0.48
▸ EGFR P00533 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ FYN P06241 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ APEX1 P27695 1/20 0.48
▸ ADRA1A P35348 1/20 0.48
▸ PTGS2 P35354 1/20 0.48
▸ MTOR P42345 1/20 0.48
▸ RECQL P46063 1/20 0.48

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
SCHEMBL29346168 0.81 BLM (0.54) ALDH1A1MAPTGAAKDM4EBLM
SCHEMBL29346180 0.81 ALDH1A1 (0.54) ALDH1A1MAPTGAAKDM4EBLM
SCHEMBL29346169 0.81 BLM (0.54) ALDH1A1MAPTGAAKDM4EBLM
SCHEMBL29346188 0.80 TDP1 (0.52) ALDH1A1MAPTGAAKDM4EBLM
SCHEMBL29346166 0.80 BLM (0.52) ALDH1A1MAPTGAAKDM4EBLM
SCHEMBL29346165 0.80 BLM (0.52) ALDH1A1MAPTGAAKDM4EBLM
SCHEMBL29346190 0.80 TDP1 (0.52) ALDH1A1MAPTGAAKDM4EBLM
SCHEMBL11335796 0.80 MAPT (0.67) ALDH1A1MAPTGAAKDM4EBLM
SCHEMBL6718121 0.80 TDP1 (0.55) ALDH1A1MAPTGAAKDM4EBLM
SCHEMBL7272030 0.80 MAPT (0.67) ALDH1A1MAPTGAAKDM4EBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239816-A1 BORONO-PHENYLALANINE DERIVATIVE STELLA PHARMA CORPORATION (JP) 2024-07-18 — — 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 (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-20240239816-A1 BORONO-PHENYLALANINE DERIVATIVE SLC7A1, SLC1A5, LATS2 ALDH1A1 1502/4885MAPT 874/4885GAA 490/4885

“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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