SCHEMBL402688

SCHEMBL402688

C=CC(F)=C(F)Oc1ccc(C(=O)N[C@H](C(=O)NO)[C@@H](C)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.44
CA2 P00918 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CA1 P00915 1/20 0.37
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
MMP12 P39900 2/20 0.36
ANPEP P15144 2/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35

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
SCHEMBL402686 1.00 PPARG (0.44) PPARGCA2NPSR1CA1MMP2
SCHEMBL402687 1.00 PPARG (0.44) PPARGCA2NPSR1CA1MMP2
SCHEMBL4875005 0.79 PPARG (0.52) PPARGCA2NPSR1CA1MMP2
SCHEMBL404683 0.78 CA1 (0.58) PPARGCA2CA1ANPEPTAS1R3
SCHEMBL405011 0.78 CA1 (0.58) PPARGCA2CA1ANPEPTAS1R3
SCHEMBL404809 0.76 PPARG (0.58) PPARGNPSR1TAS1R3TAS1R1
SCHEMBL403847 0.76 PPARG (0.49) PPARG
SCHEMBL13654310 0.76 PPARG (0.49) PPARG
SCHEMBL404729 0.76 PPARG (0.49) PPARG
SCHEMBL399644 0.74 CA1 (0.54) PPARGCA2NPSR1CA1ANPEP

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 12 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-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-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-20090247506-A1 Antibacterial agents CHIRON CORPORATION 2009-10-01 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-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 (7 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 PPARG 1875/4885CA2 3457/4885NPSR1 2756/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS PPARG 1875/4885CA2 3457/4885NPSR1 2756/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS PPARG 1875/4885CA2 3457/4885NPSR1 2756/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS PPARG 1875/4885CA2 3457/4885NPSR1 2756/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS PPARG 1875/4885CA2 3457/4885NPSR1 2756/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS PPARG 1875/4885CA2 3457/4885NPSR1 2756/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS PPARG 1875/4885CA2 3457/4885NPSR1 2756/4885

“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.