SCHEMBL29346258

SCHEMBL29346258

COc1cc(C[C@@](C)(N)C(=O)O)ccc1B(O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.55
▸ GAA P10253 3/20 0.55
▸ TDP1 Q9NUW8 3/20 0.55
▸ BLM P54132 2/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ CYP1A2 P05177 2/20 0.55
▸ POLB P06746 2/20 0.55
▸ CYP3A4 P08684 2/20 0.55
▸ MAPT P10636 2/20 0.55
▸ HPGD P15428 2/20 0.55
▸ ALOX15 P16050 2/20 0.55
▸ HSD17B10 Q99714 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ USP2 O75604 1/20 0.55
▸ EGFR P00533 1/20 0.55
▸ FYN P06241 1/20 0.55
▸ APEX1 P27695 1/20 0.55
▸ ADRA1A P35348 1/20 0.55
▸ PTGS2 P35354 1/20 0.55

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
SCHEMBL29346257 1.00 ALDH1A1 (0.55) ALDH1A1GAATDP1BLMKDM4E
SCHEMBL6339567 0.85 ALDH1A1 (0.60) ALDH1A1GAATDP1BLMKDM4E
SCHEMBL29658682 0.85 ALDH1A1 (0.60) ALDH1A1GAATDP1BLMKDM4E
SCHEMBL6339568 0.85 ALDH1A1 (0.60) ALDH1A1GAATDP1BLMKDM4E
SCHEMBL29658681 0.85 ALDH1A1 (0.60) ALDH1A1GAATDP1BLMKDM4E
SCHEMBL24534351 0.85 ALDH1A1 (0.60) ALDH1A1GAATDP1BLMKDM4E
Hydrochloric Acid SCHEMBL30149960 0.84 ALDH1A1 (0.59) ALDH1A1GAATDP1BLMKDM4E
Hydrochloric Acid SCHEMBL29152364 0.84 ALDH1A1 (0.59) ALDH1A1GAATDP1BLMKDM4E
Hydrochloric Acid SCHEMBL28101234 0.84 ALDH1A1 (0.59) ALDH1A1GAATDP1BLMKDM4E
SCHEMBL27986995 0.84 ALDH1A1 (0.59) ALDH1A1GAATDP1BLMKDM4E

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-20240239816-A1 BORONO-PHENYLALANINE DERIVATIVE STELLA PHARMA CORPORATION (JP) 2024-07-18 — — US disclosed
CN-117545759-A Derivatives of dihydroxyborylphenylalanine 斯特拉制药公司 2024-02-09 — — 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 (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 1502/4885GAA 490/4885TDP1 553/4885

“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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