SCHEMBL5079952

SCHEMBL5079952

CC(C)(C)OC(=O)Nc1cc(CC(C(=O)O)C(=O)O)ccn1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 10/20 0.48
IGF1R P08069 1/20 0.45
CYP17A1 P05093 1/20 0.43
CCR2 P41597 2/20 0.42
ATR Q13535 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ACE P12821 1/20 0.40
LDHA P00338 1/20 0.40
AAK1 Q2M2I8 1/20 0.39
PPARG P37231 1/20 0.39

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
SCHEMBL6058886 0.91 NR3C2 (0.43) NR3C2IGF1RCYP17A1CCR2MEN1
SCHEMBL6058876 0.88 NR3C2 (0.44) NR3C2IGF1RCYP17A1CCR2PPARG
SCHEMBL12540360 0.87 NR3C2 (0.47) NR3C2IGF1RCYP17A1CCR2ATR
SCHEMBL12596578 0.87 NR3C2 (0.47) NR3C2IGF1RCYP17A1CCR2ATR
SCHEMBL6058884 0.87 NR3C2 (0.42) NR3C2IGF1RCYP17A1CCR2ATR
SCHEMBL27587958 0.85 NR3C2 (0.46) NR3C2IGF1RCYP17A1CCR2ATR
SCHEMBL30468519 0.84 GABRP (0.47) NR3C2IGF1RCYP17A1CCR2ATR
SCHEMBL2771914 0.84 GABRP (0.47) NR3C2IGF1RCYP17A1CCR2ATR
SCHEMBL1940483 0.84 IGF1R (0.48) NR3C2IGF1RCYP17A1CCR2ATR
SCHEMBL29575346 0.84 IGF1R (0.48) NR3C2IGF1RCYP17A1CCR2ATR

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 NR3C2 3505/4885IGF1R 2794/4885CYP17A1 787/4885

“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.