SCHEMBL403897

SCHEMBL403897

COc1ccc(-c2ccc(C(=O)N[C@H](C(=O)NO)[C@@H](C)O)cc2)cc1C=NO

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.46
PDE4B Q07343 2/20 0.46
PDE4C Q08493 2/20 0.46
PDE4D Q08499 2/20 0.46
ANPEP P15144 3/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.39
PPARG P37231 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL403896 1.00 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DANPEP
SCHEMBL403455 0.89 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DANPEP
SCHEMBL1095574 0.85 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DANPEP
SCHEMBL404144 0.82 TAS1R3 (0.51) PDE4APDE4BPDE4CPDE4DANPEP
SCHEMBL12837593 0.82 TAS1R3 (0.51) PDE4APDE4BPDE4CPDE4DANPEP
SCHEMBL4532170 0.79 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DANPEP
SCHEMBL13654568 0.78 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DANPEP
SCHEMBL5450568 0.78 CA2 (0.49) ANPEPPPARG
SCHEMBL405181 0.78 CA2 (0.49) ANPEPPPARG
SCHEMBL1096818 0.78 ANPEP (0.56) ANPEPPPARGALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153843-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2012-04-10 US disclosed
US-8101640-B2 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-01-24 US disclosed
US-7989660-B2 BACTERICIDE AGAINST GRAMNEGATIVE BACTERIA; RESPIARATORY SYSTEM DISORDERS NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-08-02 US disclosed
US-20110172174-A1 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS INC. 2011-07-14 US disclosed
US-20100324025-A1 Antibacterial Agents UNIVERSITY OF WASHINGTON (US) 2010-12-23 US disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 US disclosed
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 US disclosed
US-20060154988-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2006-07-13 US 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 (5 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-20070244197-A1 Antibacterial agents MRPL21, SI, PGLS PDE4A 1478/4885PDE4B 1203/4885PDE4C 1615/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS PDE4A 1478/4885PDE4B 1203/4885PDE4C 1615/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS PDE4A 1478/4885PDE4B 1203/4885PDE4C 1615/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS PDE4A 1478/4885PDE4B 1203/4885PDE4C 1615/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS PDE4A 1478/4885PDE4B 1203/4885PDE4C 1615/4885

“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.