SCHEMBL2369905

SCHEMBL2369905

COc1ccc(Oc2ccc(Br)cc2C(=O)O)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.56
POLB P06746 3/20 0.56
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
HTT P42858 2/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 5/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
SCN8A Q9UQD0 1/20 0.43
SCN10A Q9Y5Y9 1/20 0.43
CPS1 P31327 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MYC P01106 1/20 0.41
NR4A1 P22736 1/20 0.41
PRKAB2 O43741 1/20 0.41

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
SCHEMBL2371199 0.85 KDM4E (0.51) KDM4EPOLBAKR1C3AKR1C2HTT
SCHEMBL2371565 0.81 POLB (0.49) KDM4EPOLBHTTLMNAMAPK1
SCHEMBL14097990 0.81 KDM4E (0.63) KDM4EPOLBAKR1C3AKR1C2HTT
SCHEMBL571110 0.81 POLB (0.72) KDM4EPOLBAKR1C3AKR1C2HTT
SCHEMBL2372284 0.81 POLB (0.68) KDM4EPOLBAKR1C3AKR1C2HTT
SCHEMBL8516100 0.79 HSD17B10 (0.62) KDM4EPOLBAKR1C3AKR1C2LMNA
SCHEMBL2371797 0.78 KDM4E (0.44) KDM4EPOLBHTTLMNAMAPK1
SCHEMBL15880288 0.78 HTT (0.51) KDM4EAKR1C3HTTLMNAALDH1A1
SCHEMBL22319389 0.78 PTGER4 (0.49) KDM4EPOLBMAPTL3MBTL1MYC
SCHEMBL31028181 0.78 PTGER4 (0.49) KDM4EPOLBMAPTL3MBTL1MYC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9777019-B2 Amino-oxazine and amino-dihydrothiazine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2017-10-03 US disclosed
US-9725469-B2 Amino-oxazine and amino-dihydrothiazine compounds as beta-secretase modulators and methods of use AMGEN, INC. (US) 2017-08-08 US disclosed
US-20160159818-A1 Amino-Oxazine and Amino-Dihydrothiazine Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2016-06-09 US disclosed
US-9346827-B2 5-amino-oxazepine and 5-amino-thiazepane compounds as beta secretase antagonists and methods of use AMGEN INC. (US) 2016-05-24 US disclosed
US-9296759-B2 Amino-oxazine and amino-dihydrothiazine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2016-03-29 US disclosed
US-20150307521-A1 AMINO-OXAZINE AND AMINO-DIHYDROTHIAZINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC (US) 2015-10-29 US disclosed
US-9012446-B2 Amino-oxazines and amino-dihydrothiazine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2015-04-21 US disclosed
US-8962859-B2 Spiro-amino-imidazo-fused heterocyclic compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2015-02-24 US disclosed
US-8883782-B2 Spiro-tetracyclic ring compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2014-11-11 US disclosed
US-20140296226-A1 Amino-Oxazine and Amino-Dihydrothiazine Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. 2014-10-02 US disclosed
US-8497264-B2 Amino-oxazines and amino-dihydrothiazine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2013-07-30 US disclosed
WO-2013044092-A1 AMINO-OXAZINES AND AMINO-DIHYDROTHIAZINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2013-03-28 WO disclosed
EP-2547685-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA - SECRETASE MODULATORS Amgen Inc. (US) 2013-01-23 EP disclosed
EP-2547686-A1 AMINO -DIHYDROOXAZINE AND AMINO - DIHYDROTHIAZINE SPIRO COMPOUNDS AS BETA - SECRETASE MODULATORS AND THEIR MEDICAL USE Amgen Inc. (US) 2013-01-23 EP disclosed
WO-2012112462-A1 SPIRO-AMINO-IMIDAZO-FUSED HETEROCYCLIC COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2012-08-23 WO disclosed
WO-2012109165-A1 5-AMINO-OXAZEPINE AND 5-AMINO-THIAZEPANE COMPOUNDS AS BETA-SECRETASE ANTAGONISTS AND METHODS OF USE AMGEN INC. (US) 2012-08-16 WO disclosed
US-20110251190-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-10-13 US disclosed
US-20110251186-A1 Amino-Oxazines and Amino-Dihydrothiazine Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2011-10-13 US disclosed
WO-2011115928-A1 AMINO -DIHYDROOXAZINE AND AMINO - DIHYDROTHIAZINE SPIRO COMPOUNDS AS BETA - SECRETASE MODULATORS AND THEIR MEDICAL USE AMGEN INC. (US) 2011-09-22 WO disclosed
WO-2011115938-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA - SECRETASE MODULATORS AMGEN INC. (US) 2011-09-22 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 (5 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-20140296226-A1 Amino-Oxazine and Amino-Dihydrothiazine Compounds as Beta-Secretase Modulators and Methods of Use BACE1, APP, BACE2 KDM4E 1486/4885POLB 3055/4885AKR1C3 1293/4885
US-20160159818-A1 Amino-Oxazine and Amino-Dihydrothiazine Compounds as Beta-Secretase Modulators and Methods of Use BACE1, APP, BACE2 KDM4E 1677/4885POLB 3042/4885AKR1C3 1330/4885
US-20110251186-A1 Amino-Oxazines and Amino-Dihydrothiazine Compounds as Beta-Secretase Modulators and Methods of Use BACE1, APP, BACE2 KDM4E 1502/4885POLB 3117/4885AKR1C3 1263/4885
US-20110251190-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP KDM4E 2994/4885POLB 3640/4885AKR1C3 153/4885
US-20150307521-A1 AMINO-OXAZINE AND AMINO-DIHYDROTHIAZINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, APP, BACE2 KDM4E 1486/4885POLB 3055/4885AKR1C3 1293/4885

“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.