SCHEMBL3815087

SCHEMBL3815087

CC(C)(C)OC(=O)N1COC(=O)[C@@H]1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 9/20 0.50
USP2 O75604 1/20 0.47
KLK5 Q9Y337 7/20 0.47
PSEN1 P49768 2/20 0.45
PSEN2 P49810 2/20 0.45
APH1B Q8WW43 2/20 0.45
NCSTN Q92542 2/20 0.45
APH1A Q96BI3 2/20 0.45
PSENEN Q9NZ42 2/20 0.45
PRSS1 P07477 3/20 0.45
PRSS2 P07478 3/20 0.45
PRSS3 P35030 3/20 0.45
PLA2G10 O15496 1/20 0.45
PLA2G5 P39877 1/20 0.45
NR1H2 P55055 2/20 0.43
NR1H3 Q13133 2/20 0.43
PARP1 P09874 1/20 0.40
STS P08842 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL8640234 1.00 KLK7 (0.50) KLK7USP2KLK5PSEN1PSEN2
SCHEMBL29096947 0.86 USP2 (0.49) KLK7USP2KLK5NR1H2NR1H3
SCHEMBL29096943 0.86 USP2 (0.49) KLK7USP2KLK5NR1H2NR1H3
SCHEMBL8196492 0.85 SMN1; SMN2 (0.44) KLK7USP2KLK5PRSS1PRSS2
SCHEMBL16050161 0.82 USP2 (0.53) KLK7USP2KLK5PSEN1PSEN2
SCHEMBL16050314 0.82 USP2 (0.53) KLK7USP2KLK5PSEN1PSEN2
SCHEMBL16050163 0.82 USP2 (0.53) KLK7USP2KLK5PSEN1PSEN2
SCHEMBL7317628 0.82 USP2 (0.67) USP2PSEN1PSEN2APH1BNCSTN
SCHEMBL5704537 0.82 USP2 (0.67) USP2PSEN1PSEN2APH1BNCSTN
SCHEMBL27041465 0.81 USP2 (0.46) USP2PSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270499-A1 Process for Synthesizing Atazanavir OXYRANE (UK) LIMITED (UK) 2009-10-29 US disclosed
US-20090270499-A1 Process for Synthesizing Atazanavir OXYRANE (UK) LIMITED (UK) 2009-10-29 US disclosed
US-20090270499-A1 Process for Synthesizing Atazanavir OXYRANE (UK) LIMITED (UK) 2009-10-29 US disclosed
WO-2009130534-A1 PROCESS FOR SYNTHESIZING ATAZANAVIR OXYRANE (PTY) LTD. (ZA) 2009-10-29 WO disclosed
US-6906224-B2 Process for producing α-aminoketones AJINOMOTO CO., INC. (JP) 2005-06-14 US disclosed
US-20040210089-A1 Process for producing alpha-aminoketones AJINOMOTO CO., INC. (JP) 2004-10-21 US disclosed
US-6696571-B2 REACTING A 3-OXAZOLIDIN-5-ONE DERIVATIVE WITH A HALOMETHYL LITHIUM AND THEN TREATING WITH AN ACID AJINOMOTO CO., INC. (JP) 2004-02-24 US disclosed
US-20030100796-A1 Process for producing alpha-aminoketones AJINOMOTO CO., INC. (JP) 2003-05-29 US disclosed
US-6570039-B2 Oxazolidine compounds as chemical intermediates AJINOMOTO CO., INC. (JP) 2003-05-27 US disclosed
US-20020035288-A1 Process for producing alpha-aminoketones AJINOMOTO CO., INC. (JP) 2002-03-21 US disclosed
US-6043278-A FORMULATION COMPRISING MIXTURE OF BETA-LACTAM ANTIBIOTIC AND PERFLUOROLOWERALKYL DERIVATIVE OF AMINO ACID ISIS INNOVATION LIMITED (GB) 2000-03-28 US disclosed
EP-0863753-A1 PERFLUOROALKYL SUBSTITUTED METALLO-BETA-LACTAMASE INHIBITORS AND METHOD FOR THE PREPARATION OF TRIFLUOROMETHYLKETONE DERIVATIVES ISIS INNOVATION LIMITED (GB) 1998-09-16 EP disclosed
WO-1997019681-A1 PERFLUOROALKYL SUBSTITUTED METALLO-BETA-LACTAMASE INHIBITORS AND METHOD FOR THE PREPARATION OF TRIFLUOROMETHYLKETONE DERIVATIVES ISIS INNOVATION LIMITED (GB) 1997-06-05 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-20040210089-A1 Process for producing alpha-aminoketones AAAS, BCKDK, KHK KLK7 331/4885USP2 2237/4885KLK5 123/4885
US-20020035288-A1 Process for producing alpha-aminoketones AAAS, BCKDK, KHK KLK7 331/4885USP2 2237/4885KLK5 123/4885
US-20030100796-A1 Process for producing alpha-aminoketones AAAS, BCKDK, KHK KLK7 331/4885USP2 2237/4885KLK5 123/4885
US-20090270499-A1 Process for Synthesizing Atazanavir SAMHD1, TYMS, COASY KLK7 1879/4885USP2 3815/4885KLK5 1455/4885

“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.