SCHEMBL3889341

SCHEMBL3889341

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

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
TP53 P04637 8/20 0.44
MAPT P10636 1/20 0.42
NOTUM Q6P988 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.40
PIK3C3 Q8NEB9 1/20 0.39

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
SCHEMBL5222204 0.96 TP53 (0.47) POLBTP53MAPTNOTUMSMN1; SMN2
SCHEMBL475737 0.91 POLB (0.55) POLBTP53MAPTSMN1; SMN2ALDH1A1
SCHEMBL5219947 0.87 NOTUM (0.45) POLBMAPTNOTUMSMN1; SMN2ALDH1A1
SCHEMBL1583553 0.86 TP53 (0.52) POLBTP53MAPTSMN1; SMN2ALDH1A1
SCHEMBL3898302 0.86 POLB (0.50) POLBTP53MAPTSMN1; SMN2ALDH1A1
SCHEMBL5223342 0.86 POLB (0.50) POLBTP53MAPTSMN1; SMN2ALDH1A1
SCHEMBL13229564 0.86 POLB (0.60) POLBTP53MAPTSMN1; SMN2ALDH1A1
SCHEMBL5218542 0.85 POLB (0.49) POLBTP53MAPTSMN1; SMN2ALDH1A1
SCHEMBL5222198 0.83 NOTUM (0.46) POLBTP53MAPTNOTUMSMN1; SMN2
SCHEMBL5225441 0.83 MAPT (0.56) POLBTP53MAPTSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7476764-B2 Phenylcarboxyamides as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-13 US disclosed
US-7476764-B2 Phenylcarboxyamides as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-13 US disclosed
US-7476764-B2 Phenylcarboxyamides as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-13 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
US-20070032470-A1 Novel phenylcarboxyamides as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-02-08 US disclosed
US-20070032470-A1 Novel phenylcarboxyamides as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-02-08 US disclosed
US-20070032470-A1 Novel phenylcarboxyamides as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-02-08 US 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 (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-20070032470-A1 Novel phenylcarboxyamides as beta-secretase inhibitors BACE1, APP, BACE2 POLB 3403/4885TP53 3617/4885MAPT 39/4885
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease BACE2, PSEN2, BACE1 POLB 723/4885TP53 3868/4885MAPT 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.