SCHEMBL5075347

SCHEMBL5075347

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
CTSK P43235 8/20 0.34
NAMPT P43490 1/20 0.34
GRIN2B Q13224 1/20 0.34
HDAC1 Q13547 1/20 0.34
MKNK2 Q9HBH9 1/20 0.32
PTPRB P23467 1/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31
TUBB3 Q13509 1/20 0.31
TUBB2A Q13885 1/20 0.31
TUBB8 Q3ZCM7 1/20 0.31
TUBA3E Q6PEY2 1/20 0.31
TUBA1A Q71U36 1/20 0.31
TUBA1C Q9BQE3 1/20 0.31
TUBB6 Q9BUF5 1/20 0.31

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
SCHEMBL5079027 0.91 GRIN2B (0.38) TSHRCTSKNAMPTGRIN2BHDAC1
SCHEMBL5073954 0.88 NAMPT (0.37) TSHRNAMPTGRIN2BHDAC1MKNK2
SCHEMBL5075341 0.87 NAMPT (0.38) TSHRCTSKNAMPTGRIN2BHDAC1
SCHEMBL5076560 0.80 GRIN2B (0.42) CTSKNAMPTGRIN2BHDAC1
SCHEMBL5073948 0.79 NAMPT (0.41) NAMPTGRIN2BHDAC1MKNK2PTPRB
SCHEMBL6058758 0.77 NAMPT (0.41) NAMPTGRIN2BHDAC1MKNK2SCN9A
SCHEMBL7384054 0.73 GRIN2B (0.42) TSHRNAMPTGRIN2BHDAC1MKNK2
SCHEMBL7384394 0.73 NAMPT (0.42) CTSKNAMPTGRIN2BHDAC1MKNK2
SCHEMBL6058817 0.73 NAMPT (0.43) NAMPTGRIN2BHDAC1MKNK2PTPRB
SCHEMBL6059170 0.73 NAMPT (0.43) NAMPTGRIN2BHDAC1MKNK2PPARG

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 TSHR 3053/4885CTSK 326/4885NAMPT 824/4885

“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.