SCHEMBL5220073

SCHEMBL5220073

CC(C)(NC(=O)O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.50
HTT P42858 3/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 2/20 0.49
RAB9A P51151 2/20 0.49
KMT2A Q03164 2/20 0.49
CES2 O00748 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
P2RX1 P51575 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
VNN1 O95497 1/20 0.46
SRD5A2 P31213 1/20 0.45
KCNK3 O14649 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NOTUM Q6P988 1/20 0.44

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
SCHEMBL10915368 0.91 GAA (0.57) GAAHTTMAPTMEN1KMT2A
SCHEMBL3447205 0.81 PDE2A (0.45) GAAHTTMAPTMEN1RAB9A
SCHEMBL717273 0.81 MAPT (0.44) GAAHTTMAPTMEN1RAB9A
SCHEMBL4499959 0.81 ALDH1A1 (0.47) GAAMAPTMEN1KMT2ACES2
SCHEMBL719029 0.81 MAPT (0.44) GAAHTTMAPTMEN1RAB9A
SCHEMBL25408879 0.81 PDE2A (0.45) GAAHTTMAPTMEN1RAB9A
SCHEMBL718654 0.81 MAPT (0.44) GAAHTTMAPTMEN1RAB9A
SCHEMBL6179163 0.81 GAA (0.47) GAAHTTMAPTALDH1A1LMNA
SCHEMBL19244803 0.81 NPSR1 (0.46) GAAHTTMAPTMEN1RAB9A
SCHEMBL11533318 0.79 TP53 (0.48) GAAHTTMAPTMEN1RAB9A

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 8 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-20060229302-A1 Tricyclic indole derivatives and their use in the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-10-12 US disclosed
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-02-02 US disclosed
EP-1620438-A1 TRICYCLIC INDOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2006-02-01 EP disclosed
EP-1567488-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2005-08-31 EP disclosed
WO-2004094430-A1 TRICYCLIC INDOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ALZHEIMER’S DISEASE GLAXO GROUP LIMITED (GB) 2004-11-04 WO disclosed
WO-2004050619-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2004-06-17 WO 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-20060229302-A1 Tricyclic indole derivatives and their use in the treatment of alzheimer's disease BACE2, BACE1, PSEN2 GAA 412/4885HTT 34/4885MAPT 15/4885
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease BACE2, PSEN2, BACE1 GAA 80/4885HTT 26/4885MAPT 16/4885

“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.