SCHEMBL5692283

SCHEMBL5692283

CC(C)NC(=O)C[C@@H](C)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
FAAH O00519 1/20 0.45
TSHR P16473 1/20 0.42
CHRM5 P08912 1/20 0.39
CHRM3 P20309 1/20 0.39
ALDH1A1 P00352 4/20 0.38
RXFP1 Q9HBX9 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
CA9 Q16790 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 2/20 0.35
VHL P40337 1/20 0.35

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
SCHEMBL5907620 1.00 MAPK1 (0.45) MAPK1MEN1KMT2AFAAHTSHR
SCHEMBL6343473 0.81 MEN1 (0.46) MAPK1MEN1KMT2AFAAHTSHR
SCHEMBL13354390 0.80 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2HPGDGAALMNA
SCHEMBL27261680 0.78 SMN1; SMN2 (0.48) MAPK1MEN1KMT2AFAAHTSHR
SCHEMBL5907648 0.78 MMP1 (0.47) MAPK1MEN1KMT2ATSHRALDH1A1
SCHEMBL1644161 0.78 FAAH (0.46) FAAHTSHRALDH1A1SMN1; SMN2
SCHEMBL1644160 0.78 FAAH (0.46) FAAHTSHRALDH1A1SMN1; SMN2
SCHEMBL21660991 0.78 MME (0.42) MAPK1MEN1KMT2AFAAHTSHR
SCHEMBL21261496 0.78 ALDH1A1 (0.34) FAAHALDH1A1SMN1; SMN2
SCHEMBL5909175 0.77 MEN1 (0.52) MAPK1MEN1KMT2AFAAHTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0904275-B1 PREPARATION OF PHOSPHOROTHIOATE OLIGOMERS UNIV MCGILL (CA) 2006-05-17 EP disclosed
US-6861518-B2 Hybrid oligonucleotide MCGILL UNIVERSITY (CA) 2005-03-01 US disclosed
US-20040097722-A9 Preparation of phosphorothioate oligomers MCGILL UNIVERSITY 2004-05-20 US disclosed
US-20030229219-A1 Preparation of phosphorothioate oligomers ISIS PHARMACEUTICALS, INC. 2003-12-11 US disclosed
US-6596857-B1 Oligomer for use as tool in human diagnostics and therapeutics MCGILL UNIVERSITY (CA) 2003-07-22 US disclosed
US-20030114660-A1 Preparation of phosphorothioate oligomers JUST GEORGE (CA) 2003-06-19 US disclosed
US-6476216-B1 Preparation of phosphorothioate oligomers MCGILL UNIVERSITY (CA) 2002-11-05 US disclosed
US-6160109-A Preparation of phosphorothioate and boranophosphate oligomers ISIS PHARMACEUTICALS, INC. (US) 2000-12-12 US disclosed
US-6031092-A Preparation of phosphorothioate oligomers MC GILL UNIVERSITY (CA) 2000-02-29 US disclosed
WO-2000000499-A1 METHOD FOR PREPARING OLIGONUCLEOTIDES WITH BORANOPHOSPHATE LINKAGES ISIS PHARMACEUTICALS, INC. (US) 2000-01-06 WO disclosed
US-5945521-A Preparation of phosphorothioate oligomers MCGILL UNIVERSITY (CA) 1999-08-31 US disclosed
EP-0904275-A1 PREPARATION OF PHOSPHOROTHIOATE OLIGOMERS McGILL UNIVERSITY (CA) 1999-03-31 EP disclosed
US-5734041-A Preparation of chiral phosphorothioate oligomers MCGILL UNIVERSITY (CA) 1998-03-31 US disclosed
WO-1997014710-A1 PREPARATION OF PHOSPHOROTHIOATE OLIGOMERS MCGILL UNIVERSITY (US) 1997-04-24 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 (3 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-20030114660-A1 Preparation of phosphorothioate oligomers RNGTT, NUDT1, OSGEP MAPK1 4314/4885MEN1 2468/4885KMT2A 4098/4885
US-20030229219-A1 Preparation of phosphorothioate oligomers RNGTT, NUDT1, OSGEP MAPK1 4314/4885MEN1 2468/4885KMT2A 4098/4885
US-20040097722-A9 Preparation of phosphorothioate oligomers RNGTT, NUDT1, OSGEP MAPK1 4314/4885MEN1 2468/4885KMT2A 4098/4885

“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.