SCHEMBL16201804

SCHEMBL16201804

C=CC[C@H]1C(=O)O[C@@H]1CCc1ccc(C2(C(F)(F)F)N=N2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.34
GABRA1 P14867 3/20 0.32
GABRG2 P18507 3/20 0.32
GABRB3 P28472 3/20 0.32
GABRB2 P47870 2/20 0.32
LYPLA1 O75608 2/20 0.32
LYPLA2 O95372 2/20 0.32
ABHD16A O95870 1/20 0.32
PLA2G6 O60733 2/20 0.32
PLA2G4A P47712 1/20 0.32
KIF11 P52732 1/20 0.30
PRSS1 P07477 2/20 0.30
CTRC Q99895 2/20 0.30
F2 P00734 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
SCHEMBL16201800 0.83 FASN (0.41) FASNSIRT2LYPLA1LYPLA2ABHD16A
SCHEMBL15012514 0.66 KIF11 (0.40) SIRT2GABRA1GABRG2GABRB3GABRB2
SCHEMBL31751418 0.65 KIF11 (0.41) SIRT2GABRA1GABRG2GABRB3GABRB2
SCHEMBL17791489 0.65 FFAR1 (0.49) KIF11
SCHEMBL18969775 0.64 KIF11 (0.40) SIRT2GABRA1GABRG2GABRB3GABRB2
SCHEMBL17600538 0.63 KIF11 (0.39) GABRA1GABRG2GABRB3GABRB2KIF11
SCHEMBL2535263 0.61 KIF11 (0.42) SIRT2GABRA1GABRG2GABRB3GABRB2
SCHEMBL17865332 0.61 ALDH1A1 (0.47) GABRA1GABRG2GABRB3GABRB2KIF11
SCHEMBL16201802 0.61 PLA2G6 (0.60) FASNLYPLA1LYPLA2ABHD16APLA2G6
SCHEMBL12370960 0.61 PLA2G6 (0.60) FASNLYPLA1LYPLA2ABHD16APLA2G6

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 FASN 1/4885SIRT2 1414/4885GABRA1 673/4885

“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.