SCHEMBL403877

SCHEMBL403877

C=CCOc1cc(C(=O)N[C@H](C(=O)NO)[C@@H](C)O)ccc1F

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
ALDH1A1 P00352 1/20 0.40
PPARG P37231 1/20 0.40
LIG1 P18858 1/20 0.39
ANPEP P15144 2/20 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
SCHEMBL404257 0.85 MRGPRX4 (0.41) KDM4EPDE4APDE4BPDE4CPDE4D
SCHEMBL405477 0.81 CCR1 (0.47) PDE4APDE4BPDE4CPDE4DANPEP
SCHEMBL402851 0.81 CCR1 (0.47) PDE4APDE4BPDE4CPDE4DANPEP
SCHEMBL403339 0.81 PPARG (0.39) PDE4APDE4BPDE4CPDE4DPPARG
SCHEMBL403376 0.80 ALDH1A1 (0.37) KDM4EALDH1A1PPARG
SCHEMBL9925842 0.77 CA2 (0.43) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL402028 0.77 CA2 (0.43) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL402337 0.76 TAS1R3 (0.57) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL1109439 0.75 ANPEP (0.53) ANPEP
SCHEMBL2533462 0.74 KDM4E (0.52) KDM4EPDE4BALDH1A1LIG1

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 25 patents — showing the first 20. 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-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-8101640-B2 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-01-24 US disclosed
US-8084615-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2011-12-27 US disclosed
US-8084615-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2011-12-27 US disclosed
US-7989660-B2 BACTERICIDE AGAINST GRAMNEGATIVE BACTERIA; RESPIARATORY SYSTEM DISORDERS NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-08-02 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-20110172174-A1 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS INC. 2011-07-14 US disclosed
US-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 US disclosed
US-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 US disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 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-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-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 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 KDM4E 4327/4885PDE4A 1478/4885PDE4B 1203/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS KDM4E 4327/4885PDE4A 1478/4885PDE4B 1203/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS KDM4E 4327/4885PDE4A 1478/4885PDE4B 1203/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS KDM4E 4327/4885PDE4A 1478/4885PDE4B 1203/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS KDM4E 4327/4885PDE4A 1478/4885PDE4B 1203/4885

“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.