SCHEMBL3289632

SCHEMBL3289632

CCOc1c(C(=O)O)c(C(=O)O)c(OCC)c2cc(F)ccc12

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.53
PDE10A Q9Y233 2/20 0.45
METAP2 P50579 1/20 0.44
DHODH Q02127 5/20 0.41
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ESR1 P03372 1/20 0.38
BCKDK O14874 1/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
MAPK1 P28482 1/20 0.36
RECQL P46063 1/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL3295172 0.85 PTGER4 (0.48) PTGER4ALDH1A1KDM4EHPGDL3MBTL1
SCHEMBL4410121 0.83 PTGER4 (0.52) PTGER4ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2299912 0.80 PTGER4 (0.47) PTGER4ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2300382 0.78 PTGER4 (0.46) PTGER4METAP2ALDH1A1KDM4EHPGD
SCHEMBL2300372 0.78 PTGER4 (0.46) PTGER4ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9654566 0.78 PTGER4 (0.47) PTGER4METAP2LMNA
SCHEMBL9654877 0.76 PTGER4 (0.46) PTGER4KDM4EL3MBTL1MAPK1
SCHEMBL14458092 0.74 PTGER4 (0.40) PTGER4PDE10AALDH1A1KDM4EHPGD
SCHEMBL11967633 0.73 CASP3 (0.44) PTGER4ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9606731 0.73 KDM4E (0.43) PTGER4PDE10ADHODHALDH1A1KDM4E

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-7718689-B2 Benzoisoindole derivatives and their use as EP4 receptor ligands GLAXO GROUP LIMITED (GB) 2010-05-18 US disclosed
US-7718689-B2 Benzoisoindole derivatives and their use as EP4 receptor ligands GLAXO GROUP LIMITED (GB) 2010-05-18 US disclosed
US-7718689-B2 Benzoisoindole derivatives and their use as EP4 receptor ligands GLAXO GROUP LIMITED (GB) 2010-05-18 US disclosed
US-20090030061-A1 {4-[4,9-bis(ethyloxy)-6-fluoro-1-oxo-1,3-dihydro-2H-benzo[f]isoindol-2-yl]phenyl}acetic acid; for treating chronic articular pain and bone disease such as osteoporosis, rheumatoid arthritis, periodontitis, or osteoarthritis GLAXO GROUP LIMITED (GB) 2009-01-29 US disclosed
US-20090030061-A1 {4-[4,9-bis(ethyloxy)-6-fluoro-1-oxo-1,3-dihydro-2H-benzo[f]isoindol-2-yl]phenyl}acetic acid; for treating chronic articular pain and bone disease such as osteoporosis, rheumatoid arthritis, periodontitis, or osteoarthritis GLAXO GROUP LIMITED (GB) 2009-01-29 US disclosed
US-20090030061-A1 {4-[4,9-bis(ethyloxy)-6-fluoro-1-oxo-1,3-dihydro-2H-benzo[f]isoindol-2-yl]phenyl}acetic acid; for treating chronic articular pain and bone disease such as osteoporosis, rheumatoid arthritis, periodontitis, or osteoarthritis GLAXO GROUP LIMITED (GB) 2009-01-29 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 (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-20090030061-A1 {4-[4,9-bis(ethyloxy)-6-fluoro-1-oxo-1,3-dihydro-2H-benzo[f]isoindol-2-yl]phenyl}acetic acid; for treating chronic articular pain and bone disease such as osteoporosis, rheumatoid arthritis, periodontitis, or osteoarthritis OPRK1, OPRD1, FFAR1 PTGER4 170/4885PDE10A 272/4885METAP2 4552/4885

“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.