SCHEMBL30486158

SCHEMBL30486158

O=CCc1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 6/20 0.47
DUSP3 P51452 6/20 0.47
AR P10275 1/20 0.46
NR3C2 P08235 1/20 0.43
KIF11 P52732 2/20 0.42
EPHX1 P07099 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
P2RX7 Q99572 3/20 0.39
VNN1 O95497 1/20 0.38
DAO P14920 1/20 0.38

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
SCHEMBL250310 1.00 PTPN7 (0.47) PTPN7DUSP3ARNR3C2KIF11
SCHEMBL3637724 0.86 KIF11 (0.51) KIF11P2RX7DAO
SCHEMBL6858263 0.86 RXRA (0.47) PTPN7DUSP3ARKIF11DAO
SCHEMBL1568951 0.84 NR3C2 (0.46) PTPN7DUSP3ARNR3C2KIF11
SCHEMBL13284215 0.83 XDH (0.44) PTPN7DUSP3ARNR3C2KIF11
SCHEMBL41768 0.80 PTPN7 (0.45) PTPN7DUSP3ARNR3C2KIF11
SCHEMBL2642102 0.80 AR (0.48) PTPN7DUSP3ARNR3C2KIF11
SCHEMBL10662203 0.79 PTPN7 (0.47) PTPN7DUSP3ARNR3C2KIF11
SCHEMBL12106845 0.79 DAO (0.39) KIF11DAO
SCHEMBL7861160 0.79 MAPT (0.39) PTPN7DUSP3KIF11EPHX1NPSR1

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-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME Halia Therapeutics, Inc. 2023-07-06 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-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME NEK7, NLRP3, NOD1 PTPN7 3161/4885DUSP3 2166/4885AR 4110/4885

“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.