SCHEMBL8516579

SCHEMBL8516579

CCOC(=O)C(C)(O)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.45
PDK2 Q15119 1/20 0.45
PDK3 Q15120 1/20 0.45
PDK4 Q16654 1/20 0.45
POLB P06746 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPT P10636 2/20 0.42
HIF1A Q16665 1/20 0.42
PKM P14618 3/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
MMP8 P22894 1/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL8516578 1.00 PDK1 (0.45) PDK1PDK2PDK3PDK4POLB
SCHEMBL28113274 1.00 PDK1 (0.45) PDK1PDK2PDK3PDK4POLB
SCHEMBL361957 0.98 PDK1 (0.44) PDK1PDK2PDK3PDK4POLB
SCHEMBL21032274 0.83 PDK1 (0.36) PDK1PDK2PDK3PDK4POLB
SCHEMBL2031558 0.81 PKM (0.45) MAPTPKMKDM4ECYP4F2CYP4A11
SCHEMBL776033 0.79 PKM (0.44) POLBNPSR1MAPTHIF1APKM
SCHEMBL9420020 0.79 CYP4F2 (0.42) POLBNPSR1MAPTHIF1APKM
SCHEMBL12555522 0.79 CYP4F2 (0.42) POLBNPSR1MAPTHIF1APKM
SCHEMBL11659039 0.79 POLB (0.49) POLBNPSR1MAPTHIF1APKM
SCHEMBL4427462 0.78 MMP8 (0.47) POLBNPSR1MAPTHIF1APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200345746-A1 Oxazine Derivative for Use in the Prevention of Alzheimer's Disease in at Risk Patents NOVARTIS AG (CH) 2020-11-05 US disclosed
US-10722518-B2 Oxazine derivative for use in the treatment or prevention of cerebral amyloid angiopathy NOVARTIS AG (CH) 2020-07-28 US disclosed
US-10683287-B2 Heterocyclic derivatives and their use in the treatment of neurological disorders NOVARTIS AG (CH) 2020-06-16 US disclosed
US-20200048237-A1 A Free Base Oxazine Derivative in Crystalline Form NOVARTIS AG (CH) 2020-02-13 US disclosed
US-20200048236-A1 Novel Heterocyclic Derivatives and Their Use in the Treatment of Neurological Disorders NOVARTIS AG (CH) 2020-02-13 US disclosed
EP-3525793-A1 AN OXAZINE DERIVATIVE FOR USE IN THE TREATMENT OR PREVENTION OF CEREBRAL AMYLOID ANGIOPATHY Novartis AG (CH) 2019-08-21 EP disclosed
WO-2019142111-A1 SALT FORMS OF AN OXAZINE DERIVATIVE BACE INHIBITOR NOVARTIS AG (CH) 2019-07-25 WO disclosed
EP-3487504-A1 AN OXAZINE DERIVATIVE FOR USE IN THE PREVENTION OF ALZHEIMER'S DISEASE IN AT RISK PATIENTS Novartis AG (CH) 2019-05-29 EP disclosed
US-10301296-B2 Heterocyclic derivatives and their use in the treatment of neurological disorders NOVARTIS AG (CH) 2019-05-28 US disclosed
US-10035794-B2 Heterocyclic derivatives and their use in the treatment of neurological disorders NOVARTIS AG (CH) 2018-07-31 US disclosed
US-20120184539-A1 Novel Heterocyclic Derivatives and Their Use in the Treatment of Neurological Disorders AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-07-19 US disclosed
WO-2012095451-A1 CRYSTALLINE OXAZINE DERIVATIVE AND ITS USE AS BACE INHIBITOR NOVARTIS AG (CH) 2012-07-19 WO disclosed
US-20120178745-A1 Novel Crystalline Oxazine Derivative NOVARTIS PHARMA AG (CH) 2012-07-12 US disclosed
US-20120172359-A1 Oxazine Derivatives and their Use in the Treatment of Neurological Disorders NOVARTIS AG (CH) 2012-07-05 US disclosed
US-8207164-B2 Oxazine derivatives and their use in the treatment of neurological disorders NOVARTIS AG (CH) 2012-06-26 US disclosed
EP-2456763-A1 OXAZINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS Novartis AG (CH) 2012-05-30 EP disclosed
WO-2012006953-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2012-01-19 WO disclosed
US-20110160477-A1 Process for Producing alpha-Trifluoromethyl-alpha,beta-Unsaturated Ester Central Glass Company ,Limited (JP) 2011-06-30 US disclosed
EP-2332902-A1 PROCESS FOR PRODUCING -TRIFLUOROMETHYL- , -UNSATURATED ESTER Central Glass Company, Limited (JP) 2011-06-15 EP disclosed
US-4701569-A PERFLUOROALKYLATION OF CARBONYL COMPOUNDS IN PRESENCE OF ZINC IN ABSENCE OF ULTRASONIC WAVES RHONE-POULENC SPECIALTIES CHIMIQUES (FR) 1987-10-20 US 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 (11 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-20200048237-A1 A Free Base Oxazine Derivative in Crystalline Form APP, PSEN1, MAPT PDK1 3696/4885PDK2 2404/4885PDK3 2489/4885
US-20120172359-A1 Oxazine Derivatives and their Use in the Treatment of Neurological Disorders OTC, GRIK5, GRIN2C PDK1 1332/4885PDK2 849/4885PDK3 1102/4885
US-20110160477-A1 Process for Producing alpha-Trifluoromethyl-alpha,beta-Unsaturated Ester DEGS1, DHCR24, FDFT1 PDK1 2799/4885PDK2 839/4885PDK3 2220/4885
US-20120178745-A1 Novel Crystalline Oxazine Derivative CYP3A5, CHRM5, CYP2C8 PDK1 2857/4885PDK2 1806/4885PDK3 1373/4885
US-10683287-B2 Heterocyclic derivatives and their use in the treatment of neurological disorders BACE2, BACE1, PSEN2 PDK1 650/4885PDK2 569/4885PDK3 1114/4885
US-20200048236-A1 Novel Heterocyclic Derivatives and Their Use in the Treatment of Neurological Disorders BACE2, BACE1, PSEN2 PDK1 566/4885PDK2 558/4885PDK3 1055/4885
US-10301296-B2 Heterocyclic derivatives and their use in the treatment of neurological disorders BACE2, BACE1, PSEN2 PDK1 650/4885PDK2 569/4885PDK3 1114/4885
US-10035794-B2 Heterocyclic derivatives and their use in the treatment of neurological disorders BACE2, BACE1, PSEN2 PDK1 650/4885PDK2 569/4885PDK3 1114/4885
US-10722518-B2 Oxazine derivative for use in the treatment or prevention of cerebral amyloid angiopathy BACE1, APP, PSEN1 PDK1 4314/4885PDK2 3440/4885PDK3 3600/4885
US-20200345746-A1 Oxazine Derivative for Use in the Prevention of Alzheimer's Disease in at Risk Patents BACE1, BACE2, PSEN1 PDK1 2401/4885PDK2 2182/4885PDK3 2704/4885
US-20120184539-A1 Novel Heterocyclic Derivatives and Their Use in the Treatment of Neurological Disorders BACE2, BACE1, PSEN2 PDK1 566/4885PDK2 558/4885PDK3 1055/4885

“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.