SCHEMBL18173643

SCHEMBL18173643

CC(=O)c1ccc(Sc2ccc(C(F)(F)F)cc2)c(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.45
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MTOR P42345 1/20 0.43
NR4A1 P22736 1/20 0.43
NR4A2 P43354 1/20 0.43
NR4A3 Q92570 1/20 0.43
PDE7A Q13946 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
MAPT P10636 2/20 0.43
XBP1 P17861 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SLC6A4 P31645 2/20 0.43
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
MAOB P27338 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GSK3B P49841 2/20 0.40
PTPN1 P18031 1/20 0.40

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
SCHEMBL20383970 0.82 LMNA (0.50) HPGDLMNAL3MBTL1PDE7AMAPT
SCHEMBL13239537 0.78 LMNA (0.53) HPGDLMNAL3MBTL1PDE7AMAPT
SCHEMBL2712115 0.75 ALDH1A1 (0.42) HPGDLMNAL3MBTL1PDE7AMAPT
SCHEMBL3544287 0.75 MLYCD (0.46) HPGDLMNAL3MBTL1MAPTSLC6A4
SCHEMBL72091 0.73 CES2 (0.67) HPGDLMNAL3MBTL1NR4A1NR4A2
SCHEMBL13239514 0.72 HPGD (0.49) HPGDLMNAL3MBTL1PDE7AMAPT
SCHEMBL841658 0.72 PDE7A (0.59) HPGDLMNAL3MBTL1PDE7AAKR1C3
SCHEMBL3542952 0.72 MEN1 (0.43) HPGDLMNAL3MBTL1PDE7AMAPT
SCHEMBL20591215 0.71 HPGD (0.62) HPGDLMNAL3MBTL1PDE7AMAPT
SCHEMBL13859365 0.71 MAPT (0.39) HPGDLMNAL3MBTL1PDE7AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3250035-B1 COMPOUNDS AND THEIR USE AS BACE1 INHIBITORS ALLGENESIS BIOTHERAPEUTICS INC (TW) 2023-01-25 EP disclosed
EP-3250035-B1 COMPOUNDS AND THEIR USE AS BACE1 INHIBITORS ALLGENESIS BIOTHERAPEUTICS INC (TW) 2023-01-25 EP disclosed
US-10870635-B2 Compounds and their use as BACE1 inhibitors ALLGENESIS BIOTHERAPEUTICS, INC. (TW) 2020-12-22 US disclosed
US-10870635-B2 Compounds and their use as BACE1 inhibitors ALLGENESIS BIOTHERAPEUTICS, INC. (TW) 2020-12-22 US disclosed
CN-107613771-B Compounds and their use as beta-secretase 1 inhibitors 新源生物科技股份有限公司 2020-12-15 CN disclosed
US-20180201604-A1 COMPOUNDS AND THEIR USE AS BACE1 INHIBITORS ALLGENESIS BIOTHERAPEUTICS, INC. (TW) 2018-07-19 US disclosed
US-20180201604-A1 COMPOUNDS AND THEIR USE AS BACE1 INHIBITORS ALLGENESIS BIOTHERAPEUTICS, INC. (TW) 2018-07-19 US disclosed
EP-3250035-A1 COMPOUNDS AND THEIR USE AS BACE1 INHIBITORS Allgenesis Biotherapeutics Inc. (TW) 2017-12-06 EP disclosed
WO-2016172255-A1 COMPOUNDS AND THEIR USE AS BACE1 INHIBITORS ALLGENESIS BIOTHERAPEUTICS, INC. (TW) 2016-10-27 WO disclosed
WO-2016172255-A1 COMPOUNDS AND THEIR USE AS BACE1 INHIBITORS ALLGENESIS BIOTHERAPEUTICS, INC. (TW) 2016-10-27 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-10870635-B2 Compounds and their use as BACE1 inhibitors BACE1, BACE2, APP HPGD 4687/4885LMNA 291/4885L3MBTL1 357/4885
US-20180201604-A1 COMPOUNDS AND THEIR USE AS BACE1 INHIBITORS BACE1, BACE2, APP HPGD 4677/4885LMNA 282/4885L3MBTL1 371/4885

“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.