SCHEMBL9606836

SCHEMBL9606836

CCCOc1c2c(c(OCCC)c3ccccc13)C(=O)N(c1ccc(CC(=O)OCC)c(F)c1)C2=O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 11/20 0.53
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.38
PKM P14618 1/20 0.38
RECQL P46063 1/20 0.38
ALDH1A1 P00352 1/20 0.36
PPARA Q07869 3/20 0.36
PPARG P37231 2/20 0.36
PPARD Q03181 2/20 0.36
KMT2A Q03164 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
SCHEMBL10058533 0.95 PTGER4 (0.49) PTGER4CYP1A2CYP2D6SMN1; SMN2PKM
SCHEMBL10058523 0.94 PTGER4 (0.50) PTGER4CYP1A2CYP2D6ALDH1A1PPARA
SCHEMBL10058550 0.94 PTGER4 (0.48) PTGER4CYP1A2CYP2D6SMN1; SMN2PKM
SCHEMBL9606761 0.93 PTGER4 (0.61) PTGER4CYP1A2CYP2D6SMN1; SMN2PKM
SCHEMBL8588489 0.89 PTGER4 (0.63) PTGER4CYP1A2CYP2D6PPARAPPARG
SCHEMBL10058526 0.89 PTGER4 (0.56) PTGER4CYP1A2CYP2D6PKM
SCHEMBL10058498 0.89 PTGER4 (0.54) PTGER4CYP1A2CYP2D6ALDH1A1KMT2A
SCHEMBL9606782 0.88 PTGER4 (0.54) PTGER4CYP1A2CYP2D6SMN1; SMN2PKM
SCHEMBL10058545 0.87 PTGER4 (0.54) PTGER4CYP1A2CYP2D6SMN1; SMN2PKM
SCHEMBL10058524 0.87 PTGER4 (0.57) PTGER4CYP1A2CYP2D6

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-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-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

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-20110201663-A1 BENZO (F) ISOINDOL-2-YLPHENYL ACETIC ACID DERIVATIVES AS EP4 RECEPTOR AGONISTS PTGER4, PTGER1, PTGER2 PTGER4 1/4885CYP1A2 284/4885CYP2D6 447/4885

“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.