SCHEMBL5223836

SCHEMBL5223836

CC(C)(C)OC(=O)c1cc(I)ccc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 4/20 0.43
GABRB3 P28472 4/20 0.43
GABRA5 P31644 3/20 0.43
GABRA1 P14867 3/20 0.43
GABRA3 P34903 3/20 0.43
GABRA2 P47869 3/20 0.43
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
GABRA6 Q16445 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
PTPN2 P17706 2/20 0.35
PTPN1 P18031 2/20 0.35
PTPN6 P29350 2/20 0.35

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
SCHEMBL14329237 0.87 GABRG2 (0.43) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL7860222 0.83 PTPN2 (0.50) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL29149086 0.81 NPC1 (0.39) NPC1RAB9AMEN1HTTKMT2A
SCHEMBL31757283 0.81 GABRG2 (0.47) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL5619767 0.81 GABRG2 (0.47) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL17495245 0.81 CA12 (0.46) GABRG2GABRB3GABRA1GABRA3GABRA2
SCHEMBL9600264 0.81 EGFR (0.50) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL204305 0.81 SOS1 (0.45) MEN1KMT2ACA12CA1CA2
SCHEMBL6351877 0.80 GABRG2 (0.43) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL27684346 0.80 GABRG2 (0.43) GABRG2GABRB3GABRA5GABRA1GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4499630-A1 BCL-XL INHIBITORS BeiGene, Ltd. (KY) 2025-02-05 EP disclosed
US-20250034128-A1 BCL-XL INHIBITORS BEIGENE, LTD. (KY) 2025-01-30 US disclosed
CN-118974033-A Bcl-xL inhibitors 百济神州有限公司 2024-11-15 CN disclosed
WO-2023185986-A1 BCL-XL INHIBITORS BEIGENE , LTD. (KY) 2023-10-05 WO disclosed
CN-106458952-B Heterocycle sulfamide derivatives and drug containing the heterocycle sulfamide derivatives EA制药株式会社 2019-09-27 CN 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-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-02-02 US disclosed
EP-1611089-A2 HYDROXYETHYLAMINE COMPOUNDS HAVING ASP2 INHIBITORY ACTIVITY FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2006-01-04 EP disclosed
EP-1567488-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2005-08-31 EP disclosed
WO-2004080376-A2 HYDROXYETHYLAMINE COMPOUNDS HAVING ASP2 INHIBITORY ACTIVITY FOR THE TREATMENT OF ALZHEIMER’S DISEASE GLAXO GROUP LIMITED (GB) 2004-09-23 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-20250034128-A1 BCL-XL INHIBITORS BCL2, BCL2L1, BCL2L10 GABRG2 642/4885GABRB3 1093/4885GABRA5 2480/4885
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease BACE2, PSEN2, BACE1 GABRG2 1931/4885GABRB3 780/4885GABRA5 974/4885

“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.