SCHEMBL27994

SCHEMBL27994

COC(=O)CCC1(CCC(=O)OC)Cc2ccc(Br)cc2C1=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.66
HPGD P15428 1/20 0.39
EGFR P00533 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
KDM4E B2RXH2 2/20 0.36
TP53 P04637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CDK1 P06493 2/20 0.36
CASP3 P42574 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
FPR3 P25089 1/20 0.35
FPR2 P25090 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
SCHEMBL29975 0.99 BACE1 (0.65) BACE1HPGDEGFRL3MBTL1MEN1
SCHEMBL12746560 0.85 BACE1 (0.77) BACE1HPGDKMT2AKDM4EHSD17B10
SCHEMBL12827702 0.80 BACE1 (1.00) BACE1MEN1KMT2AATMHSD17B10
SCHEMBL7890030 0.76 L3MBTL1 (0.42) BACE1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL12827802 0.75 BACE1 (0.39) BACE1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL7882027 0.74 HPGD (0.39) BACE1HPGDEGFRL3MBTL1MEN1
SCHEMBL12086637 0.74 L3MBTL1 (0.39) BACE1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL1465670 0.74 L3MBTL1 (0.39) BACE1L3MBTL1MEN1KMT2ALMNA
SCHEMBL28532993 0.73 CA1 (0.41) BACE1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL28547714 0.73 CA1 (0.41) BACE1L3MBTL1MEN1KMT2AKDM4E

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10336717-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, LLC (US) 2019-07-02 US disclosed
US-10336717-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, LLC (US) 2019-07-02 US disclosed
US-20160272600-A1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, LLC 2016-09-22 US disclosed
US-20160272600-A1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, LLC 2016-09-22 US disclosed
US-20160272600-A1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, LLC 2016-09-22 US disclosed
EP-2406240-B1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS INC (US) 2015-12-23 EP disclosed
EP-2406240-B1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS INC (US) 2015-12-23 EP disclosed
US-9212153-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2015-12-15 US disclosed
US-9212153-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2015-12-15 US disclosed
US-9045500-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2015-06-02 US disclosed
US-20130053377-A1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. (US) 2013-02-28 US disclosed
EP-2539322-A1 INHIBITORS OF BETA-SECRETASE Vitae Pharmaceuticals, Inc. (US) 2013-01-02 EP disclosed
EP-2406240-A2 INHIBITORS OF BETA-SECRETASE Vitae Pharmaceuticals, Inc. (US) 2012-01-18 EP disclosed
WO-2011106414-A1 INHIBITORS OF BETA-SECRETASE DILLARD LAWRENCE W (US) 2011-09-01 WO disclosed
WO-2011106414-A1 INHIBITORS OF BETA-SECRETASE DILLARD LAWRENCE W (US) 2011-09-01 WO disclosed
US-20110071126-A1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. 2011-03-24 US disclosed
US-20110071126-A1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. 2011-03-24 US disclosed
US-20110071126-A1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. 2011-03-24 US disclosed
WO-2010105179-A2 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. (US) 2010-09-16 WO disclosed
WO-2010105179-A2 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. (US) 2010-09-16 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 (4 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-10336717-B2 Inhibitors of beta-secretase BACE1, BACE2, PSEN1 BACE1 1/4885HPGD 2354/4885EGFR 2692/4885
US-20130053377-A1 INHIBITORS OF BETA-SECRETASE BACE1, BACE2, PSEN1 BACE1 1/4885HPGD 2621/4885EGFR 2009/4885
US-20160272600-A1 INHIBITORS OF BETA-SECRETASE BACE1, BACE2, PSEN1 BACE1 1/4885HPGD 2354/4885EGFR 2692/4885
US-20110071126-A1 INHIBITORS OF BETA-SECRETASE BACE1, BACE2, PSEN1 BACE1 1/4885HPGD 2354/4885EGFR 2692/4885

“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.