SCHEMBL5076532

SCHEMBL5076532

CC(C)(C)OC(=O)Nc1ccc(CC(C(=O)O)C(=O)O)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.47
HDAC1 Q13547 1/20 0.47
GRIN2B Q13224 1/20 0.45
CYP17A1 P05093 1/20 0.41
CPB2 Q96IY4 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
PPARA Q07869 3/20 0.40
PPARG P37231 3/20 0.40
GSK3B P49841 1/20 0.40
DYRK1A Q13627 1/20 0.40
LDHA P00338 1/20 0.40
BCL2 P10415 1/20 0.40
SCN9A Q15858 1/20 0.39
SCD O00767 1/20 0.39
ATM Q13315 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
ACE P12821 1/20 0.38
ITGA4 P13612 1/20 0.38

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
SCHEMBL7260124 0.93 NAMPT (0.44) NAMPTHDAC1GRIN2BCYP17A1CPB2
SCHEMBL6059170 0.91 NAMPT (0.43) NAMPTHDAC1GRIN2BCYP17A1CPB2
SCHEMBL7257280 0.90 NAMPT (0.46) NAMPTHDAC1GRIN2BCYP17A1PPARA
SCHEMBL2217180 0.89 SLC7A5 (0.47) NAMPTHDAC1GRIN2BCYP17A1CPB2
SCHEMBL2217184 0.89 SLC7A5 (0.47) NAMPTHDAC1GRIN2BCYP17A1CPB2
SCHEMBL6058751 0.88 NAMPT (0.44) NAMPTHDAC1GRIN2BCYP17A1CPB2
SCHEMBL31407782 0.88 ITGB3 (0.45) NAMPTHDAC1GRIN2BCYP17A1CPB2
SCHEMBL6058758 0.87 NAMPT (0.41) NAMPTHDAC1GRIN2BCYP17A1CPB2
SCHEMBL2214542 0.87 ITGB3 (0.47) NAMPTHDAC1GRIN2BITGB3ITGA2B
SCHEMBL164105 0.85 HDAC1 (0.52) NAMPTHDAC1GRIN2BCYP17A1GSK3B

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 6 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
WO-2003013526-A1 ANTICOAGULANT COMPOUNDS MERCK & CO. INC. (US) 2003-02-20 WO 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 2259/4885GRIN2B 4596/4885

“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.