SCHEMBL2152971

SCHEMBL2152971

CCOC(=O)CN(CCN)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.40
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
ALDH1A1 P00352 2/20 0.32

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
SCHEMBL23765759 0.87 CA12 (0.39) CYP1A2CA12CA1CA2CA9
SCHEMBL18758783 0.87 CA12 (0.43) CYP1A2CA12CA1CA2CA9
SCHEMBL23765764 0.86 CYP1A2 (0.34) CYP1A2CA12CA1CA2CA9
SCHEMBL1280292 0.86 SSTR4 (0.40) CYP1A2CA12CA1CA2CA9
SCHEMBL15312506 0.86 SMN1; SMN2 (0.38) CYP1A2CA12CA1CA2CA9
SCHEMBL5786967 0.84 CA12 (0.37) CYP1A2CA12CA1CA2CA9
SCHEMBL5355032 0.84 CA14 (0.40) CA12CA1CA2CA14MGAM
SCHEMBL9055672 0.84 CA12 (0.34) CYP1A2CA12CA1CA2CA9
SCHEMBL7204430 0.83 CA12 (0.41) CYP1A2CA12CA1CA2CA9
SCHEMBL2217787 0.83 CA14 (0.43) CYP1A2CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1074559-B1 Peptide nucleic acids BUCHARDT OLE (DK) 2011-07-06 EP disclosed
US-7378485-B2 Peptide nucleic acids with polyamide-containing backbones BUCHARDT OLE 2008-05-27 US disclosed
EP-0773950-B1 LINKED PEPTIDE NUCLEIC ACIDS ISIS PHARMACEUTICALS INC (US) 2007-08-22 EP disclosed
US-7223833-B1 Peptide nucleic acid conjugates ISIS PHARMACEUTICALS, INC. (US) 2007-05-29 US disclosed
US-20060160731-A1 Peptide nucleic acids BUCHARDT OLE 2006-07-20 US disclosed
EP-1411063-B1 Peptide nucleic acids BUCHARDT OLE (DK) 2006-07-19 EP disclosed
EP-0960121-B1 PEPTIDE NUCLEIC ACIDS HAVING ENHANCED BINDING AFFINITY, SEQUENCE SPECIFICITY AND SOLUBILITY BUCHARDT DORTE (DK) 2005-11-30 EP disclosed
US-20050009041-A1 Peptide nucleic acids and synthetic procedures therefor BUCHARDT OLE (DK) 2005-01-13 US disclosed
EP-1411063-A1 Peptide nucleic acids BUCHARDT, Ole (DK) 2004-04-21 EP disclosed
US-6713602-B1 COMPOUNDS THAT ARE NOT POLYNUCLEOTIDES YET WHICH BIND TO COMPLEMENTARY DNA AND RNA STRANDS MORE STRONGLY THE CORRESPONDING DNA BUCHARDT OLE (DK) 2004-03-30 US disclosed
US-5714331-A INCORPORATING AN AMINOALKYL SIDE CHAIN INTO THE PNA'S WHICH BIND TO COMPLEMENTARY NUCLEOBASE SEQUENCES MORE TIGHTLY TO FORM ?DUPLEXES?; VIRICIDES; ANTICARCINOGENIC AGENTS; ENZYME INHIBITORS EXXON CHEMICAL PATENT INC. 1998-02-03 US disclosed
WO-1998003542-A1 PEPTIDE NUCLEIC ACIDS HAVING ENHANCED BINDING AFFINITY, SEQUENCE SPECIFICITY AND SOLUBILITY BUCHARDT, DORTE (DK) 1998-01-29 WO disclosed
EP-0804456-A1 PEPTIDE NUCLEIC ACID CONJUGATES ISIS PHARMACEUTICALS, INC. (US) 1997-11-05 EP disclosed
EP-0773950-A1 LINKED PEPTIDE NUCLEIC ACIDS ISIS PHARMACEUTICALS, INC. (US) 1997-05-21 EP disclosed
US-5539082-A Peptide nucleic acids NIELSEN PETER E (DK) 1996-07-23 US disclosed
WO-1996011205-A9 PEPTIDE NUCLEIC ACID CONJUGATES 1996-05-30 WO disclosed
WO-1996011205-A1 PEPTIDE NUCLEIC ACID CONJUGATES ISIS PHARMACEUTICALS, INC. (US) 1996-04-18 WO disclosed
WO-1996002558-A1 LINKED PEPTIDE NUCLEIC ACIDS ISIS PHARMACEUTICALS, INC. (US) 1996-02-01 WO disclosed
EP-0586474-A1 PEPTIDE NUCLEIC ACIDS BUCHARDT, Ole (DK) 1994-03-16 EP disclosed
WO-1992020702-A1 PEPTIDE NUCLEIC ACIDS BUCHARDT OLE (DK) 1992-11-26 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 (2 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-20050009041-A1 Peptide nucleic acids and synthetic procedures therefor POLRMT, CPSF7, RNGTT CYP1A2 4884/4885CA12 3334/4885CA1 3786/4885
US-20060160731-A1 Peptide nucleic acids RNGTT, POLM, POLRMT CYP1A2 4881/4885CA12 3022/4885CA1 3945/4885

“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.