SCHEMBL913433

SCHEMBL913433

CN(C(=O)C(F)(F)F)c1ccc(C(=O)CBr)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 10/20 0.43
PTPN1 P18031 6/20 0.43
NOTUM Q6P988 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 1/20 0.33
CRHR1 P34998 2/20 0.32

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
SCHEMBL914446 0.84 CRHR1 (0.41) NOTUMALDH1A1TSHRHSD17B10CRHR1
SCHEMBL3931135 0.84 GSK3B (0.48) GSK3BPTPN1ALDH1A1TSHRHSD17B10
SCHEMBL12942492 0.72 TACR1 (0.40) ALDH1A1TSHRHPGD
SCHEMBL9955538 0.71 NOTUM (0.59) GSK3BPTPN1NOTUM
SCHEMBL3995406 0.69 GSK3B (0.59) GSK3BPTPN1
SCHEMBL7779146 0.69 PTPN1 (0.58) GSK3BPTPN1NOTUM
SCHEMBL30580694 0.69 PTPN1 (0.58) GSK3BPTPN1NOTUM
SCHEMBL29977001 0.69 HPGD (0.57) GSK3BPTPN1ALDH1A1TSHRHPGD
SCHEMBL31149832 0.69 PTPN1 (0.57) GSK3BPTPN1
SCHEMBL1232165 0.69 HPGD (0.57) GSK3BPTPN1ALDH1A1TSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2808020-A1 Beta-Amyloid Pet Imaging Agents The Government Of The United States, As Represented by The Secretary Of Health And Human Services (US) 2014-12-03 EP disclosed
US-20140341812-A1 BETA-AMYLOID PET IMAGING AGENTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERV (US) 2014-11-20 US disclosed
EP-2021340-B1 BETA-AMYLOID PET IMAGING AGENTS US GOVERNMENT (US) 2014-07-23 EP disclosed
US-8703096-B2 Beta-amyloid PET imaging agents THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2014-04-22 US disclosed
US-20110008255-A1 BETA-AMYLOID PET IMAGING AGENTS THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2011-01-13 US disclosed
EP-2021340-A2 BETA-AMYLOID PET IMAGING AGENTS The Government Of The United States, As Represented by The Secretary Of Health And Human Services (US) 2009-02-11 EP disclosed
WO-2007124345-A2 BETA-AMYLOID PET IMAGING AGENTS THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF HEALTH AND HUMAN SERVICES (US) 2007-11-01 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-20110008255-A1 BETA-AMYLOID PET IMAGING AGENTS APP, BACE1, PSEN1 GSK3B 1265/4885PTPN1 4743/4885NOTUM 2180/4885
US-20140341812-A1 BETA-AMYLOID PET IMAGING AGENTS APP, BACE1, PSEN1 GSK3B 1265/4885PTPN1 4743/4885NOTUM 2180/4885

“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.