SCHEMBL5075341

SCHEMBL5075341

CCCCC(C(=O)OCC)C(Cc1ccc(NC(=O)OC(C)(C)C)nc1)(C(=O)OCC)C(=O)OCC

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.38
HDAC1 Q13547 1/20 0.38
TSHR P16473 1/20 0.38
CTSK P43235 8/20 0.37
GRIN2B Q13224 1/20 0.36
PTPRB P23467 2/20 0.35
MKNK2 Q9HBH9 1/20 0.35
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
SCN9A Q15858 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL5076560 0.88 GRIN2B (0.42) NAMPTHDAC1CTSKGRIN2BALDH1A1
SCHEMBL5075347 0.87 TSHR (0.35) NAMPTHDAC1TSHRCTSKGRIN2B
SCHEMBL5073948 0.85 NAMPT (0.41) NAMPTHDAC1GRIN2BPTPRBMKNK2
SCHEMBL7375295 0.79 NAMPT (0.42) NAMPTHDAC1TSHRGRIN2BMKNK2
SCHEMBL6058817 0.79 NAMPT (0.43) NAMPTHDAC1GRIN2BPTPRBMKNK2
SCHEMBL7375395 0.79 NAMPT (0.43) NAMPTHDAC1TSHRCTSKGRIN2B
SCHEMBL16296336 0.79 NAMPT (0.43) NAMPTHDAC1GRIN2BPTPRBMKNK2
SCHEMBL6058751 0.78 NAMPT (0.44) NAMPTHDAC1GRIN2BMKNK2KDM4E
SCHEMBL5079027 0.78 GRIN2B (0.38) NAMPTHDAC1TSHRCTSKGRIN2B
SCHEMBL7384054 0.77 GRIN2B (0.42) NAMPTHDAC1TSHRGRIN2BMKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7423012-B2 Phosphinyloxy, oxime and carboxylic acid derivatives which are useful as carboxypeptidase U inhibitors ASTRAZENECA AB (SE) 2008-09-09 US disclosed
US-7354895-B1 Phosphinyloxy, oxime and carboxylic acid derivatives which are useful as carboxypeptidase U inhibitors ASTRAZENECA AB (SE) 2008-04-08 US disclosed
US-20060079484-A1 Phosphinyloxy, oxime and carboxylic acid derivatives which are useful as carboxypeptidase U inhibitors LINSCHOTEN MARCEL 2006-04-13 US disclosed
EP-1180099-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2002-02-20 EP disclosed
WO-2000066550-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2000-11-09 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-20060079484-A1 Phosphinyloxy, oxime and carboxylic acid derivatives which are useful as carboxypeptidase U inhibitors CPN1, CPA1, DNPEP NAMPT 824/4885HDAC1 2259/4885TSHR 3053/4885

“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.