SCHEMBL404729

SCHEMBL404729

C[C@H](O)[C@H](NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)NO

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.49
TRPV1 Q8NER1 5/20 0.47
HDAC8 Q9BY41 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
MLYCD O95822 1/20 0.44
EPHX2 P34913 1/20 0.44
NR1H4 Q96RI1 1/20 0.44

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
SCHEMBL13654310 1.00 PPARG (0.49) PPARGTRPV1HDAC8HDAC3HDAC1
SCHEMBL403847 1.00 PPARG (0.49) PPARGTRPV1HDAC8HDAC3HDAC1
SCHEMBL403690 0.96 PPARG (0.46) PPARGTRPV1HDAC8HDAC3HDAC1
SCHEMBL400807 0.93 ACACB (0.50) PPARG
SCHEMBL402664 0.90 PPARG (0.49) PPARGEPHX2NR1H4
SCHEMBL13266956 0.85 PPARG (0.46) PPARGTRPV1HDAC8HDAC3HDAC1
SCHEMBL4875005 0.85 PPARG (0.52) PPARGMLYCD
SCHEMBL14373721 0.84 PPARG (0.46) PPARGTRPV1HDAC3HDAC1HDAC2
SCHEMBL404683 0.83 CA1 (0.58) PPARG
SCHEMBL405011 0.83 CA1 (0.58) PPARG

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1618087-B1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2012-06-13 EP disclosed
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-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-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-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-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-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-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 (4 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 1875/4885TRPV1 2713/4885HDAC8 2159/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS PPARG 1875/4885TRPV1 2713/4885HDAC8 2159/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS PPARG 1875/4885TRPV1 2713/4885HDAC8 2159/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS PPARG 1875/4885TRPV1 2713/4885HDAC8 2159/4885

“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.