SCHEMBL3295172

SCHEMBL3295172

CCOC(=O)c1c(C(=O)OCC)c(OCC)c2cc(F)ccc2c1OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.48
MAPT P10636 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
TSHR P16473 2/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
GAA P10253 1/20 0.42
GRM6 O15303 1/20 0.42
PRKCZ Q05513 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL14458092 0.88 PTGER4 (0.40) PTGER4MAPTMEN1KMT2ANPSR1
SCHEMBL4410304 0.85 PTGER4 (0.48) PTGER4MAPTMEN1KMT2ANPSR1
SCHEMBL3289632 0.85 PTGER4 (0.53) PTGER4CA12CA9KDM4EALDH1A1
SCHEMBL2253345 0.81 CA12 (0.55) MAPTMEN1KMT2ANPSR1TSHR
SCHEMBL3287289 0.79 CA12 (0.49) MAPTTSHRCA12CA1CA2
SCHEMBL10147610 0.77 TSHR (0.48) MAPTMEN1KMT2ANPSR1TSHR
SCHEMBL9606730 0.76 ALDH1A1 (0.49) MAPTMEN1KMT2ANPSR1TSHR
SCHEMBL3564213 0.76 KDM4E (0.50) MAPTMEN1KMT2ANPSR1TSHR
SCHEMBL14458141 0.75 CA12 (0.45) MAPTMEN1KMT2ANPSR1TSHR
SCHEMBL9654566 0.75 PTGER4 (0.47) PTGER4MAPTMEN1KMT2AGAA

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 8 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
EP-1986999-A1 BENZOISOINDOLE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2008-11-05 EP disclosed
WO-2007093578-A1 BENZOISOINDOLE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2007-08-23 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 (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 170/4885MAPT 4196/4885MEN1 4516/4885

“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.