SCHEMBL3176334

SCHEMBL3176334

Nc1cc(F)c(OC(=O)CC(=O)O)cc1F

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
FFAR1 O14842 3/20 0.33
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
ACLY P53396 1/20 0.31
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 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
SCHEMBL6907598 0.86 FFAR1 (0.35) FFAR1CYP4F2CYP4A11ACLYLMNA
SCHEMBL27789372 0.79 ALOX15 (0.43) CYP4F2CYP4A11LMNA
SCHEMBL2723041 0.76 TRPV4 (0.39) FFAR1
SCHEMBL6907595 0.76 CYP4F2 (0.37) FFAR1CYP4F2CYP4A11LMNAMAPK1
SCHEMBL3052660 0.75 HDAC1 (0.42) HDAC1HDAC6LMNAHTTRAB9A
SCHEMBL2729260 0.75 MEN1 (0.39) LMNAHTT
SCHEMBL27962302 0.75 PKM (0.45) MAPK1
SCHEMBL28784596 0.74 CYP4F2 (0.33) CYP4F2CYP4A11LMNAHTTRAB9A
SCHEMBL4611447 0.72 HDAC1 (0.42) HDAC1HDAC6CYP4F2CYP4A11LMNA
SCHEMBL7211056 0.72 KDM4E (0.40) HDAC1HDAC6CYP4F2CYP4A11LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130261185-A1 Benzamide Derivatives As EP4 Receptor Agonists GLAXO GROUP LIMITED (GB) 2013-10-03 US disclosed
US-8314147-B2 Benzamide derivatives as EP4 receptor agonists GLAXO GROUP LIMITED (GB) 2012-11-20 US disclosed
US-20100022650-A1 Benzamide Derivatives As EP4 Receptor Agonists GLAXO GROUP LIMITED (GB) 2010-01-28 US disclosed
EP-2101751-A1 BENZAMIDE DERIVATIVES AS EP4 RECEPTOR AGONISTS Glaxo Group Limited (GB) 2009-09-23 EP disclosed
US-20080167377-A1 Novel compounds GLAXO GROUP LIMITED (GB) 2008-07-10 US disclosed
WO-2008071736-A1 BENZAMIDE DERIVATIVES AS EP4 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2008-06-19 WO 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 (3 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-20080167377-A1 Novel compounds F12, C1R, MRGPRX1 HDAC1 1367/4885HDAC6 935/4885FFAR1 1852/4885
US-20100022650-A1 Benzamide Derivatives As EP4 Receptor Agonists PTGER4, PTGER1, PTGER3 HDAC1 777/4885HDAC6 1438/4885FFAR1 110/4885
US-20130261185-A1 Benzamide Derivatives As EP4 Receptor Agonists PTGER4, PTGER1, PTGER3 HDAC1 777/4885HDAC6 1438/4885FFAR1 110/4885

“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.