SCHEMBL2299894

SCHEMBL2299894

CCC(C(=O)O)c1ccc(N2C(=O)c3c(c(OC(C)C)c4ccccc4c3OC(C)C)C2=O)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 13/20 0.43
AKR1C2 P52895 13/20 0.43
PTGER4 P35408 5/20 0.39
AKR1C1 Q04828 3/20 0.37
PTGS1 P23219 1/20 0.37
HTR1A P08908 1/20 0.36
ADRA1A P35348 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
AKR1B10 O60218 2/20 0.35
AKR1C4 P17516 2/20 0.35
KCNQ2 O43526 1/20 0.35

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
SCHEMBL1590400 0.96 AKR1C3 (0.41) AKR1C3AKR1C2PTGER4AKR1C1PTGS1
SCHEMBL1590116 0.95 AKR1C3 (0.40) AKR1C3AKR1C2PTGER4AKR1C1PTGS1
SCHEMBL1591540 0.93 PTGER4 (0.39) AKR1C3AKR1C2PTGER4CYP1A2CYP2D6
SCHEMBL1590574 0.92 AKR1C3 (0.43) AKR1C3AKR1C2PTGER4AKR1C1PTGS1
SCHEMBL2299558 0.89 PTGER4 (0.48) AKR1C3AKR1C2PTGER4PTGS1CYP1A2
SCHEMBL1589945 0.88 PTGER4 (0.45) AKR1C3AKR1C2PTGER4PTGS1CYP1A2
SCHEMBL2299042 0.87 AKR1C3 (0.43) AKR1C3AKR1C2PTGER4AKR1C1PTGS1
SCHEMBL1591360 0.86 PTGER4 (0.42) AKR1C3AKR1C2PTGER4AKR1C1PTGS1
SCHEMBL1591384 0.86 AKR1C3 (0.39) AKR1C3AKR1C2PTGER4AKR1C1PTGS1
SCHEMBL1590313 0.86 PTGER4 (0.36) AKR1C3AKR1C2PTGER4AKR1C1PTGS1

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.