SCHEMBL19631025

SCHEMBL19631025

CNC(=O)NS(=O)(=O)N1CCC(C)(C)CC1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
PIK3C3 Q8NEB9 1/20 0.34
EPHX2 P34913 1/20 0.32
SCN9A Q15858 1/20 0.32
DDIT3 P35638 1/20 0.31
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 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
SCHEMBL19631030 0.84 GAA (0.35) GAAPIK3C3EPHX2SCN9ADDIT3
SCHEMBL19631000 0.81 PIK3C3 (0.40) GAAPIK3C3EPHX2SCN9ADDIT3
SCHEMBL19627365 0.81 CYP2C19 (0.43) GAACYP2D6CYP2C19
SCHEMBL19630961 0.81 GAA (0.50) GAA
SCHEMBL19272299 0.79 GAA (0.53) GAA
SCHEMBL19630955 0.79 GAA (0.53) GAA
SCHEMBL19627403 0.77 CYP2D6 (0.36) GAAPIK3C3EPHX2SCN9ADDIT3
SCHEMBL1706500 0.77 PIK3C3 (0.33) PIK3C3
SCHEMBL3773349 0.71 PIK3C3 (0.32) PIK3C3
SCHEMBL7603407 0.65 CYP2D6 (0.47) CYP2D6CYP2C19

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-20170333399-A1 Isoxazole Derivatives as FXR Agonists and Methods of Use Thereof ENANTA PHARMACEUTICALS, INC. 2017-11-23 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-20170333399-A1 Isoxazole Derivatives as FXR Agonists and Methods of Use Thereof SLC10A1, FXR1, SLC10A2 GAA 892/4885PIK3C3 3585/4885EPHX2 707/4885

“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.