SCHEMBL16201786

SCHEMBL16201786

C#CC[C@@H](C(=O)OC)[C@@H](O)CCc1ccc(C2(C(F)(F)F)N=N2)cc1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.35
GABRB2 P47870 2/20 0.35
KIF11 P52732 1/20 0.35
MDH2 P40926 1/20 0.31
HIF1A Q16665 1/20 0.31
ABCB1 P08183 1/20 0.31
SLC2A1 P11166 1/20 0.30

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
SCHEMBL16201784 1.00 GABRA1 (0.35) GABRA1GABRB2KIF11MDH2HIF1A
SCHEMBL16201809 0.88 KIF11 (0.34) GABRA1GABRB2KIF11
SCHEMBL16201814 0.88 KIF11 (0.34) GABRA1GABRB2KIF11
SCHEMBL16201787 0.87 KIF11 (0.35) GABRA1GABRB2KIF11
SCHEMBL16201779 0.87 KIF11 (0.35) GABRA1GABRB2KIF11
SCHEMBL16201775 0.86 KIF11 (0.39) GABRA1GABRB2KIF11
SCHEMBL16201778 0.86 KIF11 (0.39) GABRA1GABRB2KIF11
SCHEMBL16201799 0.75 KIF11 (0.33) GABRA1GABRB2KIF11
SCHEMBL16201796 0.75 KIF11 (0.33) GABRA1GABRB2KIF11
SCHEMBL19733885 0.71 KIF11 (0.40) GABRA1GABRB2KIF11ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140323457-A1 BETA-O/S/N FATTY ACID BASED COMPOUNDS AS ANTIBACTERIAL AND ANTIPROTOZOAL AGENTS Technische Universität München (DE) 2014-10-30 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-20140323457-A1 BETA-O/S/N FATTY ACID BASED COMPOUNDS AS ANTIBACTERIAL AND ANTIPROTOZOAL AGENTS FASN, DEGS1, EBP GABRA1 673/4885GABRB2 377/4885KIF11 4756/4885

“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.