SCHEMBL2294577

SCHEMBL2294577

CCC(CC)(C(=O)O)C(=O)Oc1cc(F)c(N)c(F)c1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30
KCNQ3 O43525 1/20 0.30
KCNQ2 O43526 1/20 0.30
KCNQ4 P56696 1/20 0.30
KCNQ5 Q9NR82 1/20 0.30

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
SCHEMBL2297082 0.84 HDAC1 (0.35) HDAC1HDAC6KCNQ3KCNQ2KCNQ4
SCHEMBL156656 0.82 MAOB (0.38)
SCHEMBL2300345 0.80 ALDH1A1 (0.35)
SCHEMBL6904802 0.75 PTPN1 (0.33)
SCHEMBL27761332 0.74 BCL9 (0.44) HDAC1HDAC6
SCHEMBL2298371 0.74 ATM (0.41)
SCHEMBL453104 0.74 ELANE (0.46)
SCHEMBL4611447 0.72 HDAC1 (0.42) HDAC1HDAC6
SCHEMBL7490527 0.72 TSHR (0.33)
SCHEMBL3425384 0.72 RIPK1 (0.38)

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 HDAC1 1605/4885HDAC6 2515/4885AKR1C3 411/4885

“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.