SCHEMBL5219947

SCHEMBL5219947

COC(=O)c1cc(Br)cc(N2CCCCS2(O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.45
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 6/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36
TUBA1C Q9BQE3 1/20 0.36
TUBB6 Q9BUF5 1/20 0.36

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
SCHEMBL5222198 0.96 NOTUM (0.46) NOTUMALDH1A1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL3889341 0.87 POLB (0.49) NOTUMALDH1A1SMN1; SMN2POLBMAPT
SCHEMBL1583549 0.86 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2NPC1RAB9APOLB
SCHEMBL5223333 0.86 CA12 (0.49) ALDH1A1SMN1; SMN2CYP1A2CYP2D6CYP2C9
SCHEMBL5218548 0.85 NPC1 (0.40) ALDH1A1SMN1; SMN2NPC1RAB9APOLB
SCHEMBL6826704 0.83 GPR35 (0.35) ALDH1A1SMN1; SMN2POLBSLC6A2SLC6A3
SCHEMBL5222204 0.83 TP53 (0.47) NOTUMALDH1A1SMN1; SMN2POLBMAPT
SCHEMBL5225451 0.83 MAPT (0.44) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL5219981 0.81 BACE1 (0.40) ALDH1A1SMN1; SMN2TUBB4ATUBBTUBA3C
SCHEMBL5222444 0.81 MEN1 (0.44) SMN1; SMN2NPC1POLBLMNAL3MBTL1

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 5 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
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

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 NOTUM 1414/4885ALDH1A1 3102/4885SMN1; SMN2 478/4885

“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.