SCHEMBL5222755

SCHEMBL5222755

COC(=O)c1cc2c(c(N3CCCCS3(O)O)c1)CCN2C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 6/20 0.51
USP30 Q70CQ3 3/20 0.51
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CHRM4 P08173 1/20 0.34
DRD2 P14416 1/20 0.34
HTR7 P34969 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NR1H2 P55055 1/20 0.34
AR P10275 1/20 0.33
GPR119 Q8TDV5 3/20 0.32
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CALCA P06881 1/20 0.31
ESR2 Q92731 1/20 0.31
NOTUM Q6P988 1/20 0.31

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
SCHEMBL5222762 0.90 UCHL1 (0.51) UCHL1USP30HDAC1HDAC6CHRM4
SCHEMBL6184270 0.86 UCHL1 (0.39) UCHL1USP30NPC1RAB9AKDM4E
SCHEMBL5221373 0.86 NOTUM (0.41) UCHL1USP30NPC1RAB9AKDM4E
SCHEMBL3583236 0.79 UCHL1 (0.56) UCHL1USP30HDAC1HDAC6CHRM4
SCHEMBL19260109 0.79 UCHL1 (0.70) UCHL1USP30HDAC1HDAC6CHRM4
SCHEMBL5222429 0.79 SMN1; SMN2 (0.34) UCHL1USP30NPC1RAB9AKDM4E
SCHEMBL5223821 0.77 UCHL1 (0.37) UCHL1USP30HDAC1HDAC6NPC1
SCHEMBL6184274 0.75 POLB (0.39) UCHL1USP30NPC1RAB9AKDM4E
SCHEMBL5221362 0.75 NOTUM (0.41) UCHL1USP30NPC1RAB9AKDM4E
Hydrochloric Acid SCHEMBL6185527 0.75 NOTUM (0.42) UCHL1HDAC1HDAC6DRD2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-02-02 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-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease BACE2, PSEN2, BACE1 UCHL1 143/4885USP30 1875/4885HDAC1 672/4885

“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.