SCHEMBL2960577

SCHEMBL2960577

Nc1ccccc1CCP(=O)(O)O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.53
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
ANPEP P15144 2/20 0.42
ERAP1 Q9NZ08 2/20 0.42
ERAP2 Q6P179 1/20 0.42
PNP P00491 1/20 0.41
ACP3 P15309 2/20 0.39
S1PR2 O95136 2/20 0.38
S1PR4 O95977 2/20 0.38
S1PR1 P21453 2/20 0.38
S1PR3 Q99500 2/20 0.38
CFTR P13569 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
SCHEMBL233490 0.79 FDPS (0.56) FDPSANPEPERAP1ERAP2ACP3
Pyrophosphoric Acid SCHEMBL866450 0.78 FDPS (0.51) FDPSALDH1A1ANPEPERAP1ERAP2
Phosphoric Acid SCHEMBL28335107 0.77 FDPS (0.58) FDPSALDH1A1ACP3
SCHEMBL27708637 0.76 FDPS (0.41) FDPSALDH1A1CFTR
SCHEMBL234864 0.75 CYP3A4 (0.53) FDPSMEN1ALDH1A1KMT2A
SCHEMBL27463949 0.73 KMT2A (0.49) MEN1ALDH1A1KMT2AS1PR3
SCHEMBL20068080 0.73 SRC (0.44) MEN1ALDH1A1KMT2AACP3S1PR2
SCHEMBL27811913 0.73 ACP3 (0.68) ACP3
Phosphoric Acid SCHEMBL28361006 0.73 LIPG (0.53) FDPSALDH1A1S1PR2S1PR4S1PR1
SCHEMBL11492465 0.72 FDPS (0.53) FDPSALDH1A1ANPEPERAP1ERAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210130377-A1 BETA-PHOSPHONYL-ENAMINE DERIVATIVE AND PREPARATION METHOD THEREFOR SOOCHOW UNIVERSITY (CN) 2021-05-06 US disclosed
US-20210130376-A1 BETA-AMINO PHOSPHONIC ACID DERIVATIVE AND PREPARATION METHOD THEREFOR SOOCHOW UNIVERSITY (CN) 2021-05-06 US disclosed
CN-108864185-B β -phosphonoenamine derivatives and process for their preparation 苏州大学 2020-05-08 CN disclosed
CN-108727428-B β -aminophosphonic acid derivatives and process for their preparation 苏州大学 2020-05-08 CN disclosed
WO-2020010586-A1 β-AMINO PHOSPHONIC ACID DERIVATIVE AND PREPARATION METHOD THEREFOR 苏州大学张家港工业技术研究院 2020-01-16 WO disclosed
WO-2020010587-A1 β-PHOSPHONYL-ENAMINE DERIVATIVE AND PREPARATION METHOD THEREFOR 苏州大学张家港工业技术研究院 2020-01-16 WO disclosed
EP-2097387-B1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2016-05-04 EP disclosed
US-8829036-B2 Heterocyclic aspartyl protease inhibitors MERCK SHARP & DOHME CORP. (US) 2014-09-09 US disclosed
US-8778980-B2 Heterocyclic aspartyl protease inhibitors MERCK SHARP & DOHME CORP. (US) 2014-07-15 US disclosed
US-20130018066-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS Schering Corporation & Pharmacopeia Drug Discovery Inc. (US) 2013-01-17 US disclosed
EP-2097387-A2 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION (US) 2009-09-09 EP disclosed
EP-1838304-B1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORP (US) 2009-08-19 EP disclosed
US-20090111919-A1 pyrogenic alumina particles of given surface area, that has been surface treated with organophosphonic acids and hydroxycarboxylic acids; improve the mechanical properties of a melamine-based laminate for use as protective wear resistant coating on furniture, floors; high solids EVONIK DEGUSSA GMBH (DE) 2009-04-30 US disclosed
EP-1987095-A1 ALUMINIUM OXIDE-CONTAINING DISPERSION Evonik Degussa GmbH (DE) 2008-11-05 EP disclosed
WO-2008103351-A2 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION (US) 2008-08-28 WO disclosed
US-20080200445-A1 Use in treatment of cardiovascular diseases, cognitive and neurodegenerative diseases, inhibitors of Human Immunodeficiency Virus, plasmepsins, cathepsin D and protozoal enzymes; 4-imidazolidinone, 5-(3'-chloro[1,1'-biphenyl]-3-yl)-5-cyclopropyl-2-imino-3-(2,2,2-trifluoroethyl)-, for example SCHERING CORPORATION & PHARMACOPEIA DRUG DISCOVERY, INC. 2008-08-21 US disclosed
EP-1838304-A2 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION (US) 2007-10-03 EP disclosed
WO-2007096226-A1 ALUMINIUM OXIDE-CONTAINING DISPERSION EVONIK DEGUSSA GMBH (DE) 2007-08-30 WO disclosed
WO-2006065277-A2 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION (US) 2006-06-22 WO disclosed
US-20060111370-A1 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION 2006-05-25 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 (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-20060111370-A1 Heterocyclic aspartyl protease inhibitors CHRM1, CHRM2, PRSS1 FDPS 4342/4885MEN1 1192/4885ALDH1A1 4505/4885
US-20210130377-A1 BETA-PHOSPHONYL-ENAMINE DERIVATIVE AND PREPARATION METHOD THEREFOR PHOSPHO1, SLC6A12, PKLR FDPS 2568/4885MEN1 32/4885ALDH1A1 4506/4885
US-20080200445-A1 Use in treatment of cardiovascular diseases, cognitive and neurodegenerative diseases, inhibitors of Human Immunodeficiency Virus, plasmepsins, cathepsin D and protozoal enzymes; 4-imidazolidinone, 5-(3'-chloro[1,1'-biphenyl]-3-yl)-5-cyclopropyl-2-imino-3-(2,2,2-trifluoroethyl)-, for example CTSZ, CTSL, PRSS1 FDPS 3730/4885MEN1 4299/4885ALDH1A1 4571/4885
US-20210130376-A1 BETA-AMINO PHOSPHONIC ACID DERIVATIVE AND PREPARATION METHOD THEREFOR AADAT, PHYKPL, AASDHPPT FDPS 1670/4885MEN1 614/4885ALDH1A1 2879/4885
US-20130018066-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, PRSS1 FDPS 4342/4885MEN1 1192/4885ALDH1A1 4505/4885

“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.