SCHEMBL5543952

SCHEMBL5543952

O=COCCc1cccc(-c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.47
MGLL Q99685 2/20 0.46
GPR84 Q9NQS5 1/20 0.46
FFAR1 O14842 2/20 0.41
FFAR4 Q5NUL3 2/20 0.41
AKR1B1 P15121 1/20 0.41
GPR52 Q9Y2T5 1/20 0.40
NR4A2 P43354 1/20 0.40
AOC3 Q16853 3/20 0.40
GGPS1 O95749 2/20 0.40
BACE1 P56817 1/20 0.39
NAAA Q02083 1/20 0.38
BCL2 P10415 1/20 0.38
HTR1A P08908 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
SCHEMBL27558743 0.91 AGXT (0.39) AGXTMGLLGPR84FFAR1FFAR4
SCHEMBL5535808 0.90 AGXT (0.45) AGXTMGLLGPR84FFAR1FFAR4
SCHEMBL5543864 0.89 AGXT (0.44) AGXTMGLLGPR84FFAR1FFAR4
SCHEMBL5536741 0.87 AGXT (0.42) AGXTMGLLGPR84FFAR1FFAR4
SCHEMBL5537092 0.87 AGXT (0.42) AGXTMGLLGPR84FFAR1FFAR4
SCHEMBL5534913 0.84 FFAR1 (0.48) AGXTGPR84FFAR1GPR52NAAA
SCHEMBL26583 0.83 CA1 (0.48) FFAR1AKR1B1
Benzene SCHEMBL28219713 0.83 CA1 (0.48) FFAR1AKR1B1
SCHEMBL5540736 0.82 AGXT (0.59) AGXTMGLLGPR84FFAR1FFAR4
SCHEMBL27682114 0.82 FFAR1 (0.41) AGXTMGLLGPR84FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102149673-B Fatty acid acetylated salicylates and uses thereof CATABASIS PHARMACEUTICALS INC 2014-07-09 CN disclosed
CN-102056897-B Sulfonamide compound and application thereof ASAHI KASEI PHARMA CORP 2014-05-07 CN disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
CN-102149673-A Fatty acid acetylated salicylates and uses thereof CATABASIS PHARMACEUTICALS INC 2011-08-10 CN disclosed
CN-102056897-A Sulfonamide compound and application thereof ASAHI KASEI PHARMA CORP 2011-05-11 CN disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
CN-1993335-A Indanone potentiators of metabotropic glutamate receptors MERCK & CO INC (US) 2007-07-04 CN disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 AGXT 2967/4885MGLL 4717/4885GPR84 318/4885

“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.