SCHEMBL2298369

SCHEMBL2298369

CCOC(=O)C(C(=O)OCC)c1ccc([N+](=O)[O-])c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.45
ATM Q13315 1/20 0.45
MAPT P10636 10/20 0.42
ALDH1A1 P00352 6/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 3/20 0.40
GPR174 Q9BXC1 1/20 0.40
LMNA P02545 5/20 0.39
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
CRHBP P24387 1/20 0.39
RAB9A P51151 1/20 0.39
CRHR2 Q13324 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL28526142 0.96 ALDH1A1 (0.47) TDP1ATMMAPTALDH1A1SMN1; SMN2
SCHEMBL20703549 0.93 TDP1 (0.42) TDP1ATMMAPTALDH1A1SMN1; SMN2
SCHEMBL20703719 0.92 MAPT (0.41) TDP1ATMMAPTALDH1A1SMN1; SMN2
SCHEMBL9606830 0.89 ALDH1A1 (0.40) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL3223924 0.88 TDP1 (0.44) TDP1ATMMAPTALDH1A1SMN1; SMN2
SCHEMBL5676255 0.88 TDP1 (0.44) TDP1ATMMAPTALDH1A1SMN1; SMN2
SCHEMBL1201863 0.86 AKR1C3 (0.46) TDP1ATMMAPTALDH1A1SMN1; SMN2
SCHEMBL3726022 0.86 TSHR (0.49) TDP1MAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL13014975 0.84 MAPT (0.43) TDP1ATMMAPTALDH1A1SMN1; SMN2
SCHEMBL23412686 0.83 KMT2A (0.41) TDP1ATMMAPTALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252833-B2 Benzo (f) isoindol-2-ylphenyl acetic acid derivatives as EP4 receptor agonists GLAXO GROUP LIMITED (GB) 2012-08-28 US disclosed
US-8252833-B2 Benzo (f) isoindol-2-ylphenyl acetic acid derivatives as EP4 receptor agonists GLAXO GROUP LIMITED (GB) 2012-08-28 US disclosed
EP-1979316-B1 BENZO (F) ISOINDOL-2-YLPHENYL ACETIC ACID DERIVATIVES AS EP4 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2012-07-11 EP disclosed
EP-2457897-A1 BENZO (F) ISOINDOL-2-YLPHENYL ACETIC ACID DERIVATIVES AS EP4 RECEPTOR AGONISTS Glaxo Group Limited (GB) 2012-05-30 EP disclosed
US-20110201663-A1 BENZO (F) ISOINDOL-2-YLPHENYL ACETIC ACID DERIVATIVES AS EP4 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2011-08-18 US disclosed
US-20110201663-A1 BENZO (F) ISOINDOL-2-YLPHENYL ACETIC ACID DERIVATIVES AS EP4 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2011-08-18 US disclosed
US-20110201663-A1 BENZO (F) ISOINDOL-2-YLPHENYL ACETIC ACID DERIVATIVES AS EP4 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2011-08-18 US disclosed
US-20100273853-A1 NOVEL ISOINDOL DERIVATIVES AS EP4 RECEPTOR AGONISTS GLAXO GROUP LIMITED 2010-10-28 US disclosed
US-20100273853-A1 NOVEL ISOINDOL DERIVATIVES AS EP4 RECEPTOR AGONISTS GLAXO GROUP LIMITED 2010-10-28 US disclosed
CN-101415678-A Benzo (F) isoindol-2-ylphenylacetic acid derivatives as EP4Receptor agonists GLAXO GROUP LTD (GB) 2009-04-22 CN disclosed
WO-2009019281-A1 BENZOISOINDOLE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR AGONISTS FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2009-02-12 WO disclosed
WO-2008020055-A1 NOVEL ISOINDOL DERIVATIVES AS EP4 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2008-02-21 WO disclosed
WO-2007088190-A1 BENZO (F) ISOINDOL-2-YLPHENYL ACETIC ACID DERIVATIVES AS EP4 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2007-08-09 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 (2 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-20110201663-A1 BENZO (F) ISOINDOL-2-YLPHENYL ACETIC ACID DERIVATIVES AS EP4 RECEPTOR AGONISTS PTGER4, PTGER1, PTGER2 TDP1 4243/4885ATM 3475/4885MAPT 4512/4885
US-20100273853-A1 NOVEL ISOINDOL DERIVATIVES AS EP4 RECEPTOR AGONISTS PTGER4, PTGER1, PTGER3 TDP1 3805/4885ATM 2861/4885MAPT 4495/4885

“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.