SCHEMBL2300748

SCHEMBL2300748

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.44
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 8/20 0.42
FBP1 P09467 3/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
GPR55 Q9Y2T6 1/20 0.41
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GPR174 Q9BXC1 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
SCHEMBL28566529 0.87 ATM (0.43) THRBATMTDP1MAPTFBP1
SCHEMBL142930 0.87 THRB (0.44) THRBATMTDP1MAPTFBP1
SCHEMBL30875142 0.87 THRB (0.44) THRBATMTDP1MAPTFBP1
SCHEMBL14035563 0.87 THRB (0.44) THRBATMTDP1MAPTFBP1
SCHEMBL112748 0.85 THRB (0.45) THRBATMTDP1MAPTFBP1
SCHEMBL28537382 0.84 THRB (0.42) THRBATMTDP1MAPTFBP1
SCHEMBL11152796 0.83 NPSR1 (0.46) THRBATMTDP1MAPTFBP1
SCHEMBL3660772 0.82 MAPT (0.38) THRBATMTDP1MAPTFBP1
SCHEMBL142931 0.82 ALDH1A1 (0.56) THRBATMTDP1MAPTFBP1
SCHEMBL2429855 0.80 ALDH1A1 (0.44) THRBATMTDP1MAPTFBP1

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 21 patents — showing the first 20. 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
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-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
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
EP-2051961-A1 NOVEL ISOINDOL DERIVATIVES AS EP4 RECEPTOR AGONISTS Glaxo Group Limited (GB) 2009-04-29 EP 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-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
EP-1979316-A1 BENZO (F) ISOINDOL-2-YLPHENYL ACETIC ACID DERIVATIVES AS EP4 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2008-10-15 EP disclosed
WO-2008020055-A1 NOVEL ISOINDOL DERIVATIVES AS EP4 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2008-02-21 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
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 THRB 549/4885ATM 3475/4885TDP1 4243/4885
US-20100273853-A1 NOVEL ISOINDOL DERIVATIVES AS EP4 RECEPTOR AGONISTS PTGER4, PTGER1, PTGER3 THRB 417/4885ATM 2861/4885TDP1 3805/4885

“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.