SCHEMBL405477

SCHEMBL405477

C[C@@H](O)C(NC(=O)c1ccc(F)c(F)c1)C(=O)NO

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.47
HDAC1 Q13547 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
CTSK P43235 1/20 0.44
CHRNA1 P02708 1/20 0.43
CHRNG P07510 1/20 0.43
CHRNB1 P11230 1/20 0.43
CHRNB2 P17787 1/20 0.43
SLC6A2 P23975 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
SLC6A3 Q01959 1/20 0.43
CHRND Q07001 1/20 0.43
ANPEP P15144 3/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42

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
SCHEMBL402851 1.00 CCR1 (0.47) CCR1HDAC1HDAC6CTSKCHRNA1
SCHEMBL1109439 0.89 ANPEP (0.53) ANPEP
SCHEMBL9925842 0.89 CA2 (0.43) HDAC1HDAC6ANPEPPDE4APDE4B
SCHEMBL402028 0.89 CA2 (0.43) HDAC1HDAC6ANPEPPDE4APDE4B
SCHEMBL404949 0.86
SCHEMBL402337 0.85 TAS1R3 (0.57) ANPEPPDE4APDE4BPDE4CPDE4D
SCHEMBL403958 0.85 HDAC8 (0.55) HDAC1HDAC6ANPEPPDE4APDE4B
SCHEMBL403339 0.81 PPARG (0.39) HDAC6ANPEPPDE4APDE4BPDE4C
SCHEMBL403877 0.81 KDM4E (0.41) ANPEPPDE4APDE4BPDE4CPDE4D
SCHEMBL9925860 0.81 HDAC6 (0.56) HDAC6ANPEPPDE4APDE4BPDE4C

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 24 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-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-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 CCR1 2101/4885HDAC1 824/4885HDAC6 660/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS CCR1 2101/4885HDAC1 824/4885HDAC6 660/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS CCR1 2101/4885HDAC1 824/4885HDAC6 660/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS CCR1 2101/4885HDAC1 824/4885HDAC6 660/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS CCR1 2101/4885HDAC1 824/4885HDAC6 660/4885

“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.