SCHEMBL3222080

SCHEMBL3222080

O=C(O)CCN1C(=O)COc2ccc(F)cc21

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.73
TSHR P16473 3/20 0.54
HTT P42858 1/20 0.54
ALDH1A1 P00352 6/20 0.51
GAA P10253 2/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 1/20 0.47
POLB P06746 3/20 0.47
CYP3A4 P08684 3/20 0.46
CYP2C19 P33261 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2D6 P10635 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL9845447 0.90 KMO (0.62) KMOTSHRHTTALDH1A1GAA
SCHEMBL16897901 0.84 TSHR (0.76) KMOTSHRHTTALDH1A1GAA
SCHEMBL18259130 0.84 KMO (1.00) KMOTSHRHTTALDH1A1MEN1
SCHEMBL4052063 0.81 GAA (0.49) KMOTSHRHTTALDH1A1GAA
SCHEMBL7279865 0.81 KMO (0.68) KMOTSHRHTTALDH1A1GAA
SCHEMBL30096013 0.81 ALDH1A1 (0.68) KMOTSHRALDH1A1GAAMEN1
SCHEMBL4971763 0.81 ALDH1A1 (0.68) KMOTSHRALDH1A1GAAMEN1
SCHEMBL4096802 0.80 KMO (0.50) KMOTSHRHTTGAAPOLB
SCHEMBL13111737 0.79 HTT (0.50) KMOTSHRHTTALDH1A1GAA
SCHEMBL4327572 0.78 GAA (0.47) KMOTSHRHTTALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056502-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-03-04 US disclosed
EP-2125813-A2 COMPOUNDS Glaxo Group Limited (GB) 2009-12-02 EP disclosed
WO-2008116815-A2 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-10-02 WO 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-20100056502-A1 COMPOUNDS NRDC, NACA, NAA50 KMO 2899/4885TSHR 3922/4885HTT 2154/4885

“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.