SCHEMBL5651935

SCHEMBL5651935

CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)C(Br)Br

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
ALOX15 P16050 1/20 0.55
CTSL P07711 5/20 0.50
CTSB P07858 4/20 0.50
CTSS P25774 2/20 0.50
CTSK P43235 2/20 0.50
TACR1 P25103 3/20 0.48
MMP8 P22894 1/20 0.48
POLB P06746 1/20 0.47
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL5651942 1.00 ALDH1A1 (0.55) ALDH1A1ALOX15CTSLCTSBCTSS
SCHEMBL996293 0.85 L3MBTL1 (0.58) ALDH1A1ALOX15CTSLCTSBCTSS
SCHEMBL3769914 0.85 L3MBTL1 (0.58) ALDH1A1ALOX15CTSLCTSBCTSS
SCHEMBL996291 0.85 L3MBTL1 (0.58) ALDH1A1ALOX15CTSLCTSBCTSS
SCHEMBL10964365 0.85 MMP8 (0.56) ALDH1A1ALOX15CTSLCTSBCTSS
SCHEMBL8244008 0.84 ALDH1A1 (0.59) ALDH1A1ALOX15CTSLCTSBCTSS
Hydrochloric Acid SCHEMBL28046933 0.84 L3MBTL1 (0.57) ALDH1A1ALOX15CTSLCTSBCTSS
SCHEMBL7460396 0.84 POLB (0.64) ALDH1A1ALOX15POLBGAARAB9A
Hydrochloric Acid SCHEMBL27371193 0.84 L3MBTL1 (0.57) ALDH1A1ALOX15CTSLCTSBCTSS
SCHEMBL6154220 0.84 L3MBTL1 (0.48) ALDH1A1ALOX15CTSSCTSKRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7307184-B2 Processes for preparing oxazolidinone derivatives of β-hydroxyethlamine compounds and for preparing β-hydroxyethlamine compounds KANEKA CORPORATION (JP) 2007-12-11 US disclosed
US-20060135784-A1 PROCESS FOR PRODUCING 3-AMINO-2-HYDROXYPROPIONIC ACID DERIVATIVES KANEKA CORPORATION 2006-06-22 US disclosed
US-7057066-B2 Process for producing 3-amino-2-hydroxypropionic acid derivatives KANEKA CORPORATION (JP) 2006-06-06 US disclosed
US-20040181074-A1 Process for producing oxazolidinone derivative of beta-hydroxyethylamine compound and for producing beta-hydroxyethlamine compound KANEKA CORPORATION (JP) 2004-09-16 US disclosed
EP-1403257-A1 PROCESSES FOR PRODUCING OXAZOLIDINONE DERIVATIVE OF BETA-HYDROXYETHYLAMINE COMPOUND AND FOR PRODUCING BETA-HYDROXYETHYLAMINE COMPOUND KANEKA CORPORATION (JP) 2004-03-31 EP disclosed
US-20040049074-A1 Process for producing 3-amino-2-hydroxypropionic acid derivatives KANEKA CORPORATION (JP) 2004-03-11 US disclosed
EP-1300391-A1 PROCESS FOR PRODUCING 3-AMINO-2-HYDROXYPROPIONIC ACID DERIVATIVES KANEKA CORPORATION (JP) 2003-04-09 EP 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 (3 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-20040049074-A1 Process for producing 3-amino-2-hydroxypropionic acid derivatives AASDHPPT, HPD, HAAO ALDH1A1 165/4885ALOX15 3183/4885CTSL 2265/4885
US-20060135784-A1 PROCESS FOR PRODUCING 3-AMINO-2-HYDROXYPROPIONIC ACID DERIVATIVES AASDHPPT, HPD, HAAO ALDH1A1 183/4885ALOX15 3200/4885CTSL 2214/4885
US-20040181074-A1 Process for producing oxazolidinone derivative of beta-hydroxyethylamine compound and for producing beta-hydroxyethlamine compound HNMT, PNMT, HRH4 ALDH1A1 1062/4885ALOX15 2616/4885CTSL 3057/4885

“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.