SCHEMBL16201800

SCHEMBL16201800

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.41
LYPLA1 O75608 2/20 0.39
LYPLA2 O95372 2/20 0.39
SIRT2 Q8IXJ6 1/20 0.34
PLA2G6 O60733 2/20 0.33
ABHD16A O95870 1/20 0.33
PLA2G4A P47712 1/20 0.33
ABCB1 P08183 4/20 0.32
KIF11 P52732 1/20 0.31
DUSP3 P51452 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
SCHEMBL16201804 0.83 FASN (0.40) FASNLYPLA1LYPLA2SIRT2PLA2G6
SCHEMBL16201812 0.76 FASN (0.69) FASNLYPLA1LYPLA2PLA2G6ABHD16A
SCHEMBL31751418 0.66 KIF11 (0.41) SIRT2KIF11
SCHEMBL17791489 0.66 FFAR1 (0.49) KIF11
SCHEMBL18969775 0.65 KIF11 (0.40) SIRT2KIF11DUSP3
SCHEMBL15012514 0.64 KIF11 (0.40) SIRT2ABCB1KIF11DUSP3
SCHEMBL17600538 0.63 KIF11 (0.39) ABCB1KIF11
SCHEMBL18021017 0.62 KIF11 (0.38) SIRT2KIF11
SCHEMBL2535263 0.62 KIF11 (0.42) SIRT2ABCB1KIF11
SCHEMBL16201787 0.62 KIF11 (0.35) KIF11

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 1/4885LYPLA1 1206/4885LYPLA2 1288/4885

“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.