SCHEMBL5222079

SCHEMBL5222079

COC(=O)[C@@H](N)Cc1ccsc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.47
SLC1A2 P43004 2/20 0.47
SLC1A1 P43005 2/20 0.47
ALDH1A1 P00352 2/20 0.45
DPP4 P27487 2/20 0.44
DPP8 Q6V1X1 1/20 0.44
DPP9 Q86TI2 1/20 0.44
MME P08473 3/20 0.44
TDP1 Q9NUW8 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL22775723 1.00 SLC1A3 (0.47) SLC1A3SLC1A2SLC1A1ALDH1A1DPP4
SCHEMBL5692348 1.00 SLC1A3 (0.47) SLC1A3SLC1A2SLC1A1ALDH1A1DPP4
Hydrochloric Acid SCHEMBL6774341 0.98 ALDH1A1 (0.47) SLC1A3SLC1A2SLC1A1ALDH1A1DPP4
Hydrochloric Acid SCHEMBL3995222 0.98 ALDH1A1 (0.47) SLC1A3SLC1A2SLC1A1ALDH1A1DPP4
SCHEMBL28683018 0.86 CYP1A2 (0.48) SLC1A3SLC1A2SLC1A1ALDH1A1DPP4
Hydrochloric Acid SCHEMBL3498689 0.84 LTA4H (0.51) SLC1A3SLC1A2SLC1A1ALDH1A1
Hydrochloric Acid SCHEMBL3498681 0.84 LTA4H (0.51) SLC1A3SLC1A2SLC1A1ALDH1A1
SCHEMBL9098851 0.84 HDAC1 (0.57) ALDH1A1MMEMEN1KMT2A
SCHEMBL9098856 0.84 HDAC1 (0.57) ALDH1A1MMEMEN1KMT2A
SCHEMBL8491458 0.84 HDAC1 (0.57) ALDH1A1MMEMEN1KMT2A

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
WO-2024178360-A2 AURISTATIN ANALOGS AND ANTIBODY CONJUGATES THEREOF AMBRX, INC. (US) 2024-08-29 WO 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 (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-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease BACE2, PSEN2, BACE1 SLC1A3 256/4885SLC1A2 62/4885SLC1A1 235/4885

“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.