SCHEMBL2299568

SCHEMBL2299568

CCC(C(=O)O)c1cc(F)c(N)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 17/20 0.52
AKR1C2 P52895 17/20 0.52
AKR1C1 Q04828 3/20 0.43
PTGS1 P23219 1/20 0.43
AKR1B10 O60218 2/20 0.42
AKR1C4 P17516 2/20 0.42
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HTR1A P08908 1/20 0.36
ADRA1A P35348 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
SCHEMBL1590117 0.81 AKR1C3 (0.59) AKR1C3AKR1C2AKR1C1PTGS1AKR1B10
SCHEMBL28032981 0.79 AKR1C3 (0.46) AKR1C3AKR1C2AKR1C1PTGS1AKR1B10
SCHEMBL30216514 0.79 AKR1C3 (0.49) AKR1C3AKR1C2AKR1C1PTGS1AKR1B10
SCHEMBL156023 0.79 AKR1C3 (0.64) AKR1C3AKR1C2AKR1C1PTGS1AKR1B10
SCHEMBL2795502 0.76 AKR1C3 (0.61) AKR1C3AKR1C2AKR1C1PTGS1AKR1B10
SCHEMBL2162196 0.76 AKR1C3 (0.51) AKR1C3AKR1C2AKR1C1PTGS1AKR1C4
SCHEMBL4611439 0.75 HDAC1 (0.44) AKR1C3AKR1C2AKR1C1PTGS1AKR1C4
SCHEMBL20943248 0.75 AKR1C3 (0.59) AKR1C3AKR1C2AKR1C1PTGS1AKR1B10
SCHEMBL10918668 0.74 AKR1C3 (0.42) AKR1C3AKR1C2AKR1C1AKR1B10AKR1C4
SCHEMBL9606829 0.73 MMP8 (0.41) AKR1C3AKR1C2PTGS1HDAC1HDAC6

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 598/4885AKR1C1 610/4885

“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.