SCHEMBL5224905

SCHEMBL5224905

COC(=O)c1cc(C(F)(F)F)cc(Br)c1F

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.55
NOTUM Q6P988 2/20 0.54
CFTR P13569 2/20 0.49
MRGPRX4 Q96LA9 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GPR35 Q9HC97 1/20 0.38
PTPN1 P18031 1/20 0.38
CES2 O00748 2/20 0.38
MAPT P10636 3/20 0.36
TMPRSS4 Q9NRS4 2/20 0.35
P2RX1 P51575 1/20 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
SCHEMBL31396446 0.84 NOTUM (0.41) SOS1NOTUMCFTRCES2
SCHEMBL23065961 0.84 NOTUM (0.54) SOS1NOTUMCFTRKDM4EGPR35
SCHEMBL30033650 0.83 CFTR (0.55) SOS1NOTUMCFTRKDM4EGPR35
SCHEMBL28749071 0.83 SOS1 (0.61) SOS1NOTUMCFTRMRGPRX4KDM4E
SCHEMBL25355994 0.82 CFTR (0.50) SOS1NOTUMCFTRMRGPRX4KDM4E
SCHEMBL25405482 0.81 NOTUM (0.39) SOS1NOTUMKDM4ECES2MAPT
SCHEMBL9222372 0.81 CFTR (0.49) SOS1NOTUMCFTRMRGPRX4KDM4E
SCHEMBL31187835 0.81 NOTUM (0.54) SOS1NOTUMCFTRMRGPRX4KDM4E
SCHEMBL2657595 0.81 MRGPRX4 (0.51) SOS1NOTUMCFTRMRGPRX4KDM4E
SCHEMBL23065962 0.80 NOTUM (0.50) SOS1NOTUMCFTRMRGPRX4KDM4E

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
CN-1735592-A Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LTD (GB) 2006-02-15 CN disclosed
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-02-02 US disclosed
US-6992103-B2 Benzamide derivatives, processes for their preparation, and their pharmaceutical use SMITHKLINE BEECHAM P.L.C. (GB) 2006-01-31 US disclosed
US-20050085520-A1 Benzamide derivatives, processes for their preparation, and their pharmaceutical use SMITHKLINE BEECHAM P.L.C. (GB) 2005-04-21 US disclosed
EP-1448520-A1 BENZAMIDE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM PLC (GB) 2004-08-25 EP disclosed
WO-2003045913-A1 BENZAMIDE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM P.L.C. (GB) 2003-06-05 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-20050085520-A1 Benzamide derivatives, processes for their preparation, and their pharmaceutical use BACE2, PSEN2, BACE1 SOS1 4499/4885NOTUM 571/4885CFTR 2316/4885
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease BACE2, PSEN2, BACE1 SOS1 4152/4885NOTUM 1414/4885CFTR 4318/4885

“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.