SCHEMBL6514568

SCHEMBL6514568

C[C@H](NCCNC(=O)OC(C)(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
IDO1 P14902 1/20 0.52
NTSR1 P30989 1/20 0.52
MAPT P10636 3/20 0.49
MAPK1 P28482 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
POLB P06746 3/20 0.48
MEN1 O00255 1/20 0.48
RECQL P46063 1/20 0.48
KMT2A Q03164 1/20 0.48
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MALT1 Q9UDY8 1/20 0.46
HTT P42858 1/20 0.45
CTSS P25774 1/20 0.45
PPARA Q07869 1/20 0.45
GPR55 Q9Y2T6 1/20 0.44

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
SCHEMBL6514567 1.00 SYK (0.56) SYKL3MBTL1IDO1NTSR1MAPT
Hydrochloric Acid SCHEMBL6512895 0.99 SYK (0.55) SYKL3MBTL1IDO1NTSR1MAPT
Hydrochloric Acid SCHEMBL6512903 0.99 SYK (0.55) SYKL3MBTL1IDO1NTSR1MAPT
SCHEMBL22987362 0.90 LMNA (0.53) SYKL3MBTL1IDO1MAPTPOLB
SCHEMBL15202883 0.85 SYK (0.64) SYKL3MBTL1IDO1MAPTLMNA
SCHEMBL6045085 0.84 SYK (0.53) SYKL3MBTL1IDO1MAPTMAPK1
SCHEMBL2134843 0.84 POLB (0.49) SYKL3MBTL1NTSR1MAPTTDP1
SCHEMBL2134853 0.84 POLB (0.49) SYKL3MBTL1NTSR1MAPTTDP1
SCHEMBL2137272 0.84 POLB (0.49) SYKL3MBTL1NTSR1MAPTTDP1
SCHEMBL30387033 0.83 SYK (0.63) SYKL3MBTL1IDO1MAPTCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050048552-A1 Higher order structure and binding of peptide nucleic acids ISIS PHARMACEUTICALS, INC. 2005-03-03 US disclosed
US-6770738-B1 USED TO MODULATE PROTEIN ACTIVITY THROUGH, FOR EXAMPLE, TRANSCRIPTION ARREST, TRANSCRIPTION INITIATION, AND SITE SPECIFIC CLEAVAGE OF NUCLEIC ACIDS ISIS PHARMACEUTICALS, INC. 2004-08-03 US disclosed
EP-0776331-B1 HIGHER ORDER STRUCTURE AND BINDING OF PEPTIDE NUCLEIC ACIDS ISIS PHARMACEUTICALS INC (US) 2002-11-27 EP disclosed
US-5986053-A NUCLEIC ACID COMPLEXES WITH MULTISTRANDS AND SEQUENCES ISIS PHARMACEUTICALS, INC. (US) 1999-11-16 US disclosed
US-5641625-A PEPTIDE NUCLEIC ACIDS FORMING DUPLEX, TRIPLEX AND OTHER STRUCTURES WITH NUCLEIC ACIDS; MODULATION OF PROTEIN ACTIVITY BY TRANSCRIPTION ARREST AND INITIATION; SPECIFIC SITE CLEAVAGE ISIS PHARMACEUTICALS, INC. (US) 1997-06-24 US disclosed
EP-0776331-A1 HIGHER ORDER STRUCTURE AND BINDING OF PEPTIDE NUCLEIC ACIDS ISIS PHARMACEUTICALS, INC. (US) 1997-06-04 EP disclosed
WO-1995001370-A1 HIGHER ORDER STRUCTURE AND BINDING OF PEPTIDE NUCLEIC ACIDS ISIS PHARMACEUTICALS, INC. (US) 1995-01-12 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 (1 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-20050048552-A1 Higher order structure and binding of peptide nucleic acids SSU72, DDX1, DDX18 SYK 4191/4885L3MBTL1 385/4885IDO1 4735/4885

“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.