SCHEMBL6402167

SCHEMBL6402167

COC(=O)c1cc(C(=O)CBr)ccc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.51
MAPT P10636 7/20 0.48
HPGDS O60760 1/20 0.48
CTNNB1 P35222 1/20 0.48
WNT3A P56704 1/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 4/20 0.47
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MEN1 O00255 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
GAA P10253 1/20 0.46
LMNA P02545 3/20 0.45
EGFR P00533 1/20 0.44
NPSR1 Q6W5P4 3/20 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
SCHEMBL30985101 0.88 MAPT (0.54) GSK3BMAPTHPGDSCTNNB1WNT3A
SCHEMBL1561350 0.88 MAPT (0.54) GSK3BMAPTHPGDSCTNNB1WNT3A
SCHEMBL11476787 0.87 GSK3B (0.54) GSK3BMAPTHPGDSCTNNB1WNT3A
SCHEMBL11636158 0.87 HSD17B2 (0.51) GSK3BMAPTHPGDSCTNNB1WNT3A
SCHEMBL11401113 0.87 ALDH1A1 (0.54) GSK3BMAPTTSHRKMT2ASMN1; SMN2
SCHEMBL11466513 0.85 GSK3B (0.49) GSK3BMAPTHPGDSCTNNB1WNT3A
SCHEMBL11466941 0.84 GSK3B (0.51) GSK3BMAPTHPGDSCTNNB1WNT3A
SCHEMBL29678875 0.83 MAPT (0.64) MAPTTSHRKMT2AKDM4ESMN1; SMN2
SCHEMBL5169870 0.83 MAPT (0.64) MAPTTSHRKMT2AKDM4ESMN1; SMN2
SCHEMBL2056261 0.83 PTPN11 (0.47) GSK3BMAPTKDM4ESMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050288376-A1 Bicyclyl or heterobicyclylmethanesulfonylanimo-substituted N-hydroxyformamides SMITHKLINE BEECHAM PLC 2005-12-29 US disclosed
EP-1289980-B1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2004-11-17 EP disclosed
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides SMITHKLINE BEECHAM P.L.C. (GB) 2004-02-05 US disclosed
EP-1289980-A1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2003-03-12 EP disclosed
WO-2001090100-A1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM P.L.C. (GB) 2001-11-29 WO disclosed
US-4255575-A HYPOTENSIVE, ANTISPASMODIC, ADRENERGIC BLOCKING AGENTS RICHARDSON-MERRELL INC. (US) 1981-03-10 US disclosed
US-4221808-A Novel antihypertensive agent RICHARDSON-MERRELL INC. (US) 1980-09-09 US disclosed
US-4200755-A ADRENERGIC BLOCKING AGENTS, ANTISPASMODIC AGENTS, HYPOTENSIVE AGENTS RICHARDSON-MERRELL INC. (US) 1980-04-29 US disclosed
US-4101579-A Phenethanolamine ethers ALLEN & HANBURYS LIMITED (GB) 1978-07-18 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 (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-20050288376-A1 Bicyclyl or heterobicyclylmethanesulfonylanimo-substituted N-hydroxyformamides CD22, CD2, NEU3 GSK3B 4101/4885MAPT 4864/4885HPGDS 173/4885
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides CD22, CD2, NEU3 GSK3B 4108/4885MAPT 4873/4885HPGDS 140/4885

“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.