SCHEMBL4875005

SCHEMBL4875005

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

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.52
CA2 P00918 3/20 0.44
CA1 P00915 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MMP2 P08253 2/20 0.43
MMP9 P14780 2/20 0.43
MMP12 P39900 2/20 0.43
ANPEP P15144 2/20 0.43
ALOX15 P16050 1/20 0.42
GFER P55789 1/20 0.42
ADAM17 P78536 1/20 0.42
MLYCD O95822 1/20 0.41

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
SCHEMBL405011 0.87 CA1 (0.58) PPARGCA2CA1ANPEPALOX15
SCHEMBL404683 0.87 CA1 (0.58) PPARGCA2CA1ANPEPALOX15
SCHEMBL404729 0.85 PPARG (0.49) PPARGMLYCD
SCHEMBL13654310 0.85 PPARG (0.49) PPARGMLYCD
SCHEMBL403847 0.85 PPARG (0.49) PPARGMLYCD
SCHEMBL399644 0.83 CA1 (0.54) PPARGCA2CA1NPSR1ANPEP
SCHEMBL403777 0.83 MMP2 (0.61) PPARGMMP2MMP9MMP12ADAM17
SCHEMBL1096818 0.83 ANPEP (0.56) PPARGCA2CA1ANPEP
SCHEMBL1105587 0.83 MMP2 (0.61) PPARGMMP2MMP9MMP12ADAM17
SCHEMBL5450568 0.83 CA2 (0.49) PPARGCA2CA1ANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 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 (1 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-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS PPARG 1875/4885CA2 3457/4885CA1 4246/4885

“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.