SCHEMBL1009244

SCHEMBL1009244

O=C(O)CCCCCCCOCc1cc(F)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.42
FFAR4 Q5NUL3 7/20 0.40
MMP2 P08253 2/20 0.40
MMP12 P39900 2/20 0.40
MMP1 P03956 1/20 0.40
MMP9 P14780 1/20 0.40
ALB P02768 1/20 0.40
FFAR1 O14842 3/20 0.39
DPP4 P27487 1/20 0.39
PLA2G4B P0C869 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
F13A1 P00488 3/20 0.38
ALKBH1 Q13686 1/20 0.38

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
SCHEMBL1007676 0.89 IDO1 (0.45) LTB4RFFAR4ALBFFAR1PLA2G4B
SCHEMBL20378956 0.86 MMP2 (0.40) FFAR4MMP2MMP12MMP1MMP9
SCHEMBL20378857 0.83 MMP2 (0.39) FFAR4MMP2MMP12MMP1MMP9
SCHEMBL1007443 0.82 ALDH1A1 (0.47) LTB4RFFAR4FFAR1
SCHEMBL1009903 0.82 MMP2 (0.38) MMP2MMP12MMP1MMP9ALKBH1
SCHEMBL1008360 0.81 FFAR4 (0.39) LTB4RFFAR4ALBFFAR1PLA2G4B
SCHEMBL29009856 0.80 F13A1 (0.56) LTB4RFFAR4FFAR1F13A1
SCHEMBL1007282 0.79 FFAR4 (0.45) LTB4RFFAR4FFAR1PLA2G4B
SCHEMBL8239860 0.79 F13A1 (0.53) FFAR4FFAR1DPP4F13A1
SCHEMBL1008735 0.78 MAOA (0.43) LTB4RFFAR4ALBFFAR1PLA2G4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2280935-B1 4-TRIMETHYLAMMONIO-BUTYRATES AS CPT2 INHIBITORS HOFFMANN LA ROCHE (CH) 2014-10-15 EP disclosed
EP-2268606-B1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-08-06 EP disclosed
US-8673946-B2 4-trimethylammonio-butyrates as CPT2 inhibitors HOFFMANN-LA ROCHE INC. (US) 2014-03-18 US disclosed
US-20130030033-A1 4-TRIMETHYLAMMONIO-BUTYRATES AS CPT2 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2013-01-31 US disclosed
US-8349893-B2 4-trimethylammonio-butyrates as CPT2 inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-01-08 US disclosed
US-8344027-B2 4-dimethylaminobutyric acid derivatives HOFFMANN-LA ROCHE INC. (US) 2013-01-01 US disclosed
US-20120289554-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES ANDJELKOVIC MIRJANA (CH) 2012-11-15 US disclosed
EP-2280935-A1 4-TRIMETHYLAMMONIO-BUTYRATES AS CPT2 INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-02-09 EP disclosed
EP-2268606-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-01-05 EP disclosed
WO-2009132979-A1 4-TRIMETHYLAMMONIO-BUTYRATES AS CPT2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-11-05 WO disclosed
WO-2009132978-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-11-05 WO disclosed
US-20090270505-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES HOFFMANN-LA ROCHE, INC. 2009-10-29 US disclosed
US-20090270500-A1 4-TRIMETHYLAMMONIO-BUTYRATES AS CPT2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-29 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 (4 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-20090270505-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES CPT1B, CPT1A, CPT2 LTB4R 909/4885FFAR4 190/4885MMP2 2796/4885
US-20090270500-A1 4-TRIMETHYLAMMONIO-BUTYRATES AS CPT2 INHIBITORS CPT1A, CPT1B, CPT2 LTB4R 1370/4885FFAR4 171/4885MMP2 2606/4885
US-20120289554-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES CPT1B, CPT1A, CPT2 LTB4R 909/4885FFAR4 190/4885MMP2 2796/4885
US-20130030033-A1 4-TRIMETHYLAMMONIO-BUTYRATES AS CPT2 INHIBITORS CPT1A, CPT1B, CPT2 LTB4R 1370/4885FFAR4 171/4885MMP2 2606/4885

“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.