SCHEMBL16201809

SCHEMBL16201809

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

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.34
GABRA1 P14867 3/20 0.33
GABRB2 P47870 2/20 0.33
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31

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
SCHEMBL16201814 1.00 KIF11 (0.34) KIF11GABRA1GABRB2GABRG2GABRB3
SCHEMBL16201779 0.90 KIF11 (0.35) KIF11GABRA1GABRB2
SCHEMBL16201787 0.90 KIF11 (0.35) KIF11GABRA1GABRB2
SCHEMBL16201775 0.89 KIF11 (0.39) KIF11GABRA1GABRB2
SCHEMBL16201778 0.89 KIF11 (0.39) KIF11GABRA1GABRB2
SCHEMBL16201786 0.88 GABRA1 (0.35) KIF11GABRA1GABRB2
SCHEMBL16201799 0.86 KIF11 (0.33) KIF11GABRA1GABRB2
SCHEMBL16201796 0.86 KIF11 (0.33) KIF11GABRA1GABRB2
SCHEMBL19733885 0.73 KIF11 (0.40) KIF11GABRA1GABRB2GABRG2GABRB3
SCHEMBL17865332 0.71 ALDH1A1 (0.47) KIF11GABRA1GABRB2GABRG2GABRB3

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 KIF11 4756/4885GABRA1 673/4885GABRB2 377/4885

“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.