SCHEMBL5531379

SCHEMBL5531379

CC1(c2ccc(F)c(F)c2)OC=CC1=O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 12/20 0.55
HCAR3 P49019 10/20 0.55
SLC6A2 P23975 3/20 0.35
SLC6A3 Q01959 3/20 0.35
CHRNA1 P02708 1/20 0.35
CHRNG P07510 1/20 0.35
CHRNB1 P11230 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
CHRND Q07001 1/20 0.35
CYP1A2 P05177 1/20 0.34
CCR2 P41597 1/20 0.34
BACE1 P56817 1/20 0.33
MMP8 P22894 1/20 0.33
MMP14 P50281 1/20 0.33
SLC6A4 P31645 2/20 0.33

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
SCHEMBL5519630 0.82 HCAR2 (0.53) HCAR2HCAR3SLC6A2SLC6A3CHRNA1
SCHEMBL11414250 0.76 HCAR2 (0.53) HCAR2HCAR3CYP1A2
SCHEMBL3101214 0.75 HCAR2 (0.56) HCAR2HCAR3SLC6A2SLC6A3CHRNA1
SCHEMBL5521792 0.74 HCAR2 (0.51) HCAR2HCAR3CYP1A2BACE1
SCHEMBL5520638 0.74 HCAR2 (0.40) HCAR2HCAR3SLC6A2SLC6A3CHRNA1
SCHEMBL5531839 0.73 HCAR2 (0.57) HCAR2HCAR3CYP1A2
SCHEMBL3100362 0.72 HCAR2 (0.43) HCAR2HCAR3CYP1A2CCR2BACE1
SCHEMBL5522028 0.72 HCAR2 (0.57) HCAR2HCAR3CYP1A2BACE1
SCHEMBL5526802 0.71 HCAR2 (0.54) HCAR2HCAR3CYP1A2BACE1
SCHEMBL5515242 0.71 HCAR2 (0.59) HCAR2SLC6A2SLC6A3CHRNA1CHRNG

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-20070093545-A1 4-Oxo-4,5-dihydro-furan-2-carboxylic acid derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2007-04-26 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-20070093545-A1 4-Oxo-4,5-dihydro-furan-2-carboxylic acid derivatives and methods of treatment of metabolic-related disorders thereof ABAT, G6PD, GLS2 HCAR2 229/4885HCAR3 373/4885SLC6A2 886/4885

“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.