SCHEMBL2428028

SCHEMBL2428028

O=C(O)Cc1ccc(N2C(=O)c3c(c(OCC(F)(F)F)c4ccccc4c3OCC(F)(F)F)C2O)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 16/20 0.50
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
PPARD Q03181 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL12289221 1.00 PTGER4 (0.50) PTGER4CYP1A2CYP2D6THRATHRB
SCHEMBL2937605 0.96 PTGER4 (0.57) PTGER4CYP1A2CYP2D6
SCHEMBL14307440 0.96 PTGER4 (0.57) PTGER4CYP1A2CYP2D6
SCHEMBL2930321 0.96 PTGER4 (0.57) PTGER4CYP1A2CYP2D6
SCHEMBL14307445 0.91 PTGER4 (0.46) PTGER4CYP1A2CYP2D6THRATHRB
SCHEMBL2435918 0.88 PTGER4 (0.49) PTGER4CYP1A2CYP2D6
SCHEMBL12289272 0.88 PTGER4 (0.47) PTGER4CYP1A2CYP2D6SMN1; SMN2
SCHEMBL12289269 0.88 PTGER4 (0.47) PTGER4CYP1A2CYP2D6SMN1; SMN2
SCHEMBL3230074 0.88 PTGER4 (0.50) PTGER4CYP1A2CYP2D6CA2
SCHEMBL13431496 0.88 PTGER4 (0.50) PTGER4CYP1A2CYP2D6CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8026270-B2 Benzo [F] isoindoles as EP4 receptor agonists GLAXO GROUP LIMITED (GB) 2011-09-27 US disclosed
EP-2046742-B1 BENZO [F] ISOINDOLES AS EP4 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2010-09-22 EP disclosed
US-20090312388-A1 Benzo [F] Isoindoles As EP4 Receptor Agonists GLAXO GROUP LIMITED 2009-12-17 US disclosed
EP-2046742-A1 BENZO [F] ISOINDOLES AS EP4 RECEPTOR AGONISTS Glaxo Group Limited (GB) 2009-04-15 EP disclosed
WO-2008012347-A1 BENZO [F] ISOINDOLES AS EP4 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2008-01-31 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-20090312388-A1 Benzo [F] Isoindoles As EP4 Receptor Agonists PTGER4, GPR4, PTGER1 PTGER4 1/4885CYP1A2 310/4885CYP2D6 393/4885

“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.