SCHEMBL2166916

SCHEMBL2166916

CC(NCC(=O)O)NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CTSK P43235 10/20 0.45
CTSS P25774 6/20 0.45
CYP2D6 P10635 1/20 0.44
CTSL P07711 2/20 0.43
CTSB P07858 1/20 0.43
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL8646265 0.86 CYP2D6 (0.51) CA1CA2CA7CTSKCTSS
SCHEMBL2685445 0.84 CA2 (0.49) CA1CA2CA7CTSKCTSS
SCHEMBL432411 0.80 CYP1A2 (0.55) CA1CA2CA7CTSKCYP2D6
SCHEMBL4262676 0.79 CA1 (0.42) CA1CA2CA7CTSKCTSS
SCHEMBL1372203 0.78 CA1 (0.51) CA1CA2CA7CTSKCTSS
SCHEMBL3018246 0.78 CA1 (0.51) CA1CA2CA7CTSKCTSS
SCHEMBL74360 0.78 CA1 (0.51) CA1CA2CA7CTSKCTSS
SCHEMBL8560541 0.77 CA2 (0.47) CA1CA2CA7CTSKCTSS
SCHEMBL929382 0.77 CA1 (0.53) CA1CA2CA7CTSKCTSS
SCHEMBL3484138 0.77 CA1 (0.53) CA1CA2CA7CTSKCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115136-A1 PNA DIAGNOSTIC USE PNA Patent Owners (a/k/a CIG) (US) 2012-05-10 US disclosed
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
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
US-20060046255-A1 Use of nucleic acid analogues in diagnostics and analytical procedures BUCHARDT OLE 2006-03-02 US 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-0586618-B1 THE USE OF NUCLEIC ACID ANALOGUES IN DIAGNOSTICS AND ANALYTICAL PROCEDURES BUCHARDT DORTE (DK) 1997-07-16 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-1996002558-A1 LINKED PEPTIDE NUCLEIC ACIDS ISIS PHARMACEUTICALS, INC. (US) 1996-02-01 WO disclosed
EP-0586618-A1 THE USE OF NUCLEIC ACID ANALOGUES IN DIAGNOSTICS AND ANALYTICAL PROCEDURES. BUCHARDT OLE (DK) 1994-03-16 EP 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
WO-1992020703-A1 THE USE OF NUCLEIC ACID ANALOGUES IN DIAGNOSTICS AND ANALYTICAL PROCEDURES 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 (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-20120115136-A1 PNA DIAGNOSTIC USE RNASE1, NCL, PABPC4 CA1 902/4885CA2 1289/4885CA7 333/4885
US-20050009041-A1 Peptide nucleic acids and synthetic procedures therefor POLRMT, CPSF7, RNGTT CA1 3786/4885CA2 4554/4885CA7 3361/4885
US-20060046255-A1 Use of nucleic acid analogues in diagnostics and analytical procedures ADAR, POLRMT, POLI CA1 1858/4885CA2 1443/4885CA7 419/4885
US-20060160731-A1 Peptide nucleic acids RNGTT, POLM, POLRMT CA1 3945/4885CA2 4411/4885CA7 3643/4885

“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.