SCHEMBL5224032

SCHEMBL5224032

COC(=O)[C@@H](N)Cc1ccco1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
GAA P10253 2/20 0.50
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
ALOX5 P09917 1/20 0.45
TSHR P16473 1/20 0.44
TP53 P04637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41

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
SCHEMBL12864431 1.00 ALDH1A1 (0.52) ALDH1A1GAASLC1A3SLC1A2SLC1A1
Hydrochloric Acid SCHEMBL4249637 0.98 ALDH1A1 (0.51) ALDH1A1GAASLC1A3SLC1A2SLC1A1
SCHEMBL6778635 0.86 ALDH1A1 (0.49) ALDH1A1GAASLC1A3SLC1A2SLC1A1
Hydrochloric Acid SCHEMBL6777275 0.84 ALDH1A1 (0.47) ALDH1A1GAASLC1A3SLC1A2SLC1A1
SCHEMBL24591314 0.83 CTSS (0.49) ALDH1A1GAASLC1A3SLC1A2SLC1A1
SCHEMBL24591312 0.83 CTSS (0.49) ALDH1A1GAASLC1A3SLC1A2SLC1A1
SCHEMBL10926891 0.81 ALDH1A1 (0.50) ALDH1A1SLC1A3SLC1A2SLC1A1ALOX5
SCHEMBL12240912 0.81 ALDH1A1 (0.50) ALDH1A1SLC1A3SLC1A2SLC1A1ALOX5
SCHEMBL180118 0.80 SLC1A3 (0.54) ALDH1A1SLC1A3SLC1A2SLC1A1ALOX5
SCHEMBL10305129 0.80 ALOX5 (0.54) ALDH1A1GAASLC1A3SLC1A2SLC1A1

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
US-20220009946-A1 FUSED HETEROCYCLIC BENZODIAZEPINE DERIVATIVES AND USES THEREOF INTOCELL, INC. (KR) 2022-01-13 US disclosed
US-7253198-B2 Hydroxyethylamine derivatives for the treatment of Alzheimer's disease GLAXO GROUP LIMITED (GB) 2007-08-07 US disclosed
EP-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP disclosed
CN-1735592-A Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LTD (GB) 2006-02-15 CN disclosed
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-02-02 US disclosed
EP-1567488-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2005-08-31 EP disclosed
WO-2004050619-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2004-06-17 WO disclosed
EP-0427463-B1 Substituted N-(imidazolyl)alkyl alanine derivatives SMITHKLINE BEECHAM CORP (US) 1995-03-08 EP disclosed
US-5248689-A Hypotensive agents, congestive heart failure, renal failure or glaucoma SMITHKLINE BEECHAM CORPORATION (US) 1993-09-28 US disclosed
CN-1051555-A N-(imidazolyl) the alkyl alanine derivatives that replaces SMITHKLINE BEECHAM CORP (US) 1991-05-22 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 (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-20220009946-A1 FUSED HETEROCYCLIC BENZODIAZEPINE DERIVATIVES AND USES THEREOF GABRB2, GABRB3, GABRB1 ALDH1A1 1347/4885GAA 1409/4885SLC1A3 882/4885
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease BACE2, PSEN2, BACE1 ALDH1A1 3102/4885GAA 80/4885SLC1A3 256/4885

“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.