SCHEMBL2295950

SCHEMBL2295950

CCCOc1c2c(c(OCCC)c3ccccc13)C(O)N(c1ccc(C(CC)C(=O)O)cc1F)C2=O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 10/20 0.38
AKR1C2 P52895 10/20 0.38
PTGER4 P35408 5/20 0.38
PTGS1 P23219 2/20 0.32
PTGS2 P35354 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA1A P35348 1/20 0.32
AKR1C1 Q04828 1/20 0.32
TNF P01375 1/20 0.32
KCNQ2 O43526 1/20 0.32
ACACB O00763 1/20 0.32

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
SCHEMBL1590759 0.94 AKR1C3 (0.35) AKR1C3AKR1C2PTGER4PTGS1PTGS2
SCHEMBL2298376 0.93 PTGER4 (0.44) AKR1C3AKR1C2PTGER4PTGS1PTGS2
SCHEMBL1590458 0.87 PTGER4 (0.40) AKR1C3AKR1C2PTGER4PTGS1PTGS2
SCHEMBL1591302 0.87 PTGER4 (0.41) AKR1C3AKR1C2PTGER4PTGS1PTGS2
SCHEMBL2302719 0.87 AKR1C3 (0.39) AKR1C3AKR1C2PTGER4PTGS1PTGS2
SCHEMBL1590906 0.85 PTGER4 (0.33) AKR1C3AKR1C2PTGER4PTGS1HTR1A
SCHEMBL1590901 0.85 PTGER4 (0.35) AKR1C3AKR1C2PTGER4PTGS1HTR1A
SCHEMBL2299042 0.85 AKR1C3 (0.43) AKR1C3AKR1C2PTGER4PTGS1HTR1A
SCHEMBL1590787 0.84 AKR1C3 (0.36) AKR1C3AKR1C2PTGER4PTGS1PTGS2
SCHEMBL1590112 0.84 AKR1C3 (0.36) AKR1C3AKR1C2PTGER4PTGS1PTGS2

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 AKR1C3 411/4885AKR1C2 598/4885PTGER4 1/4885

“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.