SCHEMBL5076560

SCHEMBL5076560

CCOC(=O)C(CCc1ccccc1)C(Cc1ccc(NC(=O)OC(C)(C)C)nc1)(C(=O)OCC)C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.42
CTSK P43235 3/20 0.40
CTSS P25774 1/20 0.40
HDAC1 Q13547 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
NPR3 P17342 1/20 0.38
ALDH1A1 P00352 1/20 0.37
RECQL P46063 1/20 0.37
MMP8 P22894 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
NAMPT P43490 1/20 0.37
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
SCD O00767 1/20 0.35
CYP2C9 P11712 1/20 0.35
PTGER1 P34995 1/20 0.35
SYK P43405 1/20 0.35
BCL2 P10415 1/20 0.34

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 0.89 GRIN2B (0.38) GRIN2BCTSKCTSSHDAC1SMN1; SMN2
SCHEMBL5075341 0.88 NAMPT (0.38) GRIN2BCTSKHDAC1SMN1; SMN2ALDH1A1
SCHEMBL5073948 0.85 NAMPT (0.41) GRIN2BHDAC1ALDH1A1NAMPTGAA
SCHEMBL7384394 0.81 NAMPT (0.42) GRIN2BCTSKCTSSHDAC1NPR3
SCHEMBL7375395 0.81 NAMPT (0.43) GRIN2BCTSKCTSSHDAC1ALDH1A1
SCHEMBL5075347 0.80 TSHR (0.35) GRIN2BCTSKHDAC1NAMPT
SCHEMBL5073954 0.79 NAMPT (0.37) GRIN2BHDAC1ALDH1A1NAMPTGAA
SCHEMBL7384054 0.77 GRIN2B (0.42) GRIN2BHDAC1SMN1; SMN2ALDH1A1NPC1
SCHEMBL7375295 0.77 NAMPT (0.42) GRIN2BHDAC1SMN1; SMN2ALDH1A1NPC1
SCHEMBL6059170 0.77 NAMPT (0.43) GRIN2BHDAC1ALDH1A1MMP8NAMPT

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 GRIN2B 4596/4885CTSK 326/4885CTSS 151/4885

“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.