SCHEMBL2298376

SCHEMBL2298376

CCOc1c2c(c(OCC)c3ccccc13)C(O)N(c1ccc(C(CC)C(=O)O)cc1F)C2=O

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 11/20 0.44
AKR1C3 P42330 7/20 0.39
AKR1C2 P52895 7/20 0.39
PTGS2 P35354 2/20 0.37
PTGS1 P23219 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL1591302 0.94 PTGER4 (0.41) PTGER4AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL1590458 0.94 PTGER4 (0.40) PTGER4AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL2295950 0.93 AKR1C3 (0.38) PTGER4AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL2299588 0.89 PTGER4 (0.42) PTGER4AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL2302719 0.89 AKR1C3 (0.39) PTGER4AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL4207290 0.88 PTGER4 (0.39) PTGER4AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL1590759 0.88 AKR1C3 (0.35) PTGER4AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL2429847 0.87 PTGER4 (0.43) PTGER4AKR1C3AKR1C2CYP1A2CYP2D6
SCHEMBL1590787 0.85 AKR1C3 (0.36) PTGER4AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL1590112 0.85 AKR1C3 (0.36) PTGER4AKR1C3AKR1C2PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885AKR1C3 411/4885AKR1C2 598/4885

“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.