SCHEMBL2937774

SCHEMBL2937774

O=C(O)CC(=O)Oc1ccc([N+](=O)[O-])c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
RAPGEF3 O95398 1/20 0.43
MAPT P10636 4/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
BCL9 O00512 1/20 0.38
CTNNB1 P35222 1/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 4/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MITF O75030 1/20 0.38
HPGD P15428 1/20 0.38
MC4R P32245 1/20 0.38
CASP6 P55212 1/20 0.37
SIRT5 Q9NXA8 1/20 0.36
PTGES O14684 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
SCHEMBL27872409 0.84 MAPT (0.44) ATMTDP1RAPGEF3MAPTKDM4E
SCHEMBL3183674 0.83 TSHR (0.51) MAPTKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL3964966 0.82 AR (0.47) SMN1; SMN2MEN1KMT2ALMNAHTT
SCHEMBL27578594 0.82 BCL9 (0.61) ATMTDP1RAPGEF3MAPTKDM4E
SCHEMBL4612031 0.81 BCL9 (0.35) MAPTKDM4ESMN1; SMN2BCL9CTNNB1
SCHEMBL2729880 0.81 ALDH1A1 (0.45) TDP1MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL15092197 0.80 SLC1A3 (0.42) TDP1MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL7549531 0.79 TDP1 (0.49) ATMTDP1RAPGEF3MAPTSMN1; SMN2
SCHEMBL6968807 0.79 RAPGEF3 (0.53) ATMTDP1RAPGEF3MAPTSMN1; SMN2
SCHEMBL25242510 0.79 TDP1 (0.51) ATMTDP1RAPGEF3MAPTKDM4E

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 16 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
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-20100273853-A1 NOVEL ISOINDOL DERIVATIVES AS EP4 RECEPTOR AGONISTS GLAXO GROUP LIMITED 2010-10-28 US disclosed
EP-2046742-B1 BENZO [F] ISOINDOLES AS EP4 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2010-09-22 EP disclosed
US-20100069457-A1 Naphthalene Derivatives Used As EP4 Receptor Agonists GLAXO GROUP LIMITED (GB) 2010-03-18 US disclosed
US-20090312388-A1 Benzo [F] Isoindoles As EP4 Receptor Agonists GLAXO GROUP LIMITED 2009-12-17 US disclosed
EP-2051961-A1 NOVEL ISOINDOL DERIVATIVES AS EP4 RECEPTOR AGONISTS Glaxo Group Limited (GB) 2009-04-29 EP disclosed
EP-2049485-A1 NAPHTHALENE DERIVATIVES USED AS EP4 RECEPTOR AGONISTS Glaxo Group Limited (GB) 2009-04-22 EP disclosed
EP-2046742-A1 BENZO [F] ISOINDOLES AS EP4 RECEPTOR AGONISTS Glaxo Group Limited (GB) 2009-04-15 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
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-2008012344-A1 NAPHTHALENE DERIVATIVES USED AS EP4 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2008-01-31 WO disclosed
WO-2008012347-A1 BENZO [F] ISOINDOLES AS EP4 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2008-01-31 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 (3 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-20090312388-A1 Benzo [F] Isoindoles As EP4 Receptor Agonists PTGER4, GPR4, PTGER1 ATM 3835/4885TDP1 4175/4885RAPGEF3 183/4885
US-20100273853-A1 NOVEL ISOINDOL DERIVATIVES AS EP4 RECEPTOR AGONISTS PTGER4, PTGER1, PTGER3 ATM 2861/4885TDP1 3805/4885RAPGEF3 242/4885
US-20100069457-A1 Naphthalene Derivatives Used As EP4 Receptor Agonists PTGER4, PTGER1, PTGER3 ATM 3078/4885TDP1 4330/4885RAPGEF3 444/4885

“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.