SCHEMBL5135393

SCHEMBL5135393

CCOC(=O)c1cc(C(=O)NCC(CNC(=O)c2cc(C(=O)OCC)cc(C(=O)OCC)c2)OP(OCCC#N)N(C(C)C)C(C)C)cc(C(=O)OCC)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.33
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA7 P43166 2/20 0.32
CA9 Q16790 2/20 0.32
CA14 Q9ULX7 2/20 0.32
BRAF P15056 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
KMT2A Q03164 5/20 0.31
MEN1 O00255 3/20 0.31
ALDH1A1 P00352 5/20 0.31
MAPT P10636 3/20 0.31
MAPK1 P28482 1/20 0.31
TP53 P04637 1/20 0.30
TSHR P16473 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HPGD P15428 3/20 0.30
RECQL P46063 1/20 0.30
HSD17B10 Q99714 2/20 0.30

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
SCHEMBL14038167 0.81 ALDH1A1 (0.32) GAASMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL1530667 0.80 CA12 (0.38) GAACA12CA1CA2CA7
SCHEMBL1530811 0.77 CA2 (0.36) GAACA12CA1CA2CA7
SCHEMBL23056741 0.76
SCHEMBL14038019 0.76 MAPT (0.42) GAACA12CA1CA2CA7
SCHEMBL2227857 0.74 MEN1 (0.33) KMT2AMEN1
SCHEMBL1620919 0.74 TLR2 (0.38) KMT2AMEN1MAPTMAPK1TP53
SCHEMBL26307870 0.74 TLR2 (0.36) KMT2AMEN1MAPTMAPK1TP53
SCHEMBL23071679 0.73 HRH4 (0.31)
SCHEMBL5135879 0.73 CA12 (0.32) GAACA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1309730-B1 NEW HYDRAZIDE BUILDING BLOCKS AND HYDRAZIDE MODIFIED BIOMOLECULES NANOGEN RECOGNOMICS GMBH (DE) 2008-11-26 EP claimed
JP-2004517043-A 2004-06-10 JP claimed
US-20040087807-A1 Macromolecules having hydrazide attachment moieties and reagents for their production SANOFI-AVENTIS S.A. (FR) 2004-05-06 US claimed
EP-1309730-A2 NEW HYDRAZIDE BUILDING BLOCKS AND HYDRAZIDE MODIFIED BIOMOLECULES Nanogen Recognomics GmbH (DE) 2003-05-14 EP claimed
WO-2002014558-A2 NEW HYDRAZIDE BUILDING BLOCKS AND HYDRAZIDE MODIFIED BIOMOLECULES NANOGEN RECOGNOMICS GMBH (DE) 2002-02-21 WO claimed
EP-1309730-B1 NEW HYDRAZIDE BUILDING BLOCKS AND HYDRAZIDE MODIFIED BIOMOLECULES NANOGEN RECOGNOMICS GMBH (DE) 2008-11-26 EP disclosed
EP-1309730-B1 NEW HYDRAZIDE BUILDING BLOCKS AND HYDRAZIDE MODIFIED BIOMOLECULES NANOGEN RECOGNOMICS GMBH (DE) 2008-11-26 EP disclosed
US-7129229-B2 Hydrazide building blocks and hydrazide modified biomolecules NANOGEN RECOGNOMICS GMBH (DE) 2006-10-31 US disclosed
US-20040087807-A1 Macromolecules having hydrazide attachment moieties and reagents for their production SANOFI-AVENTIS S.A. (FR) 2004-05-06 US disclosed
EP-1309730-A2 NEW HYDRAZIDE BUILDING BLOCKS AND HYDRAZIDE MODIFIED BIOMOLECULES Nanogen Recognomics GmbH (DE) 2003-05-14 EP disclosed
WO-2002014558-A2 NEW HYDRAZIDE BUILDING BLOCKS AND HYDRAZIDE MODIFIED BIOMOLECULES NANOGEN RECOGNOMICS GMBH (DE) 2002-02-21 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-20040087807-A1 Macromolecules having hydrazide attachment moieties and reagents for their production DNPEP, HPSE, HLCS GAA 424/4885CA12 688/4885CA1 1298/4885

“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.