SCHEMBL19627367

SCHEMBL19627367

CC(C)NC(=O)NS(=O)(=O)N1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.44
HRH3 Q9Y5N1 5/20 0.42
KCNH2 Q12809 1/20 0.42
KMT2A Q03164 2/20 0.41
TSHR P16473 2/20 0.41
FKBP1A P62942 2/20 0.38
MEN1 O00255 1/20 0.38
CYP2C19 P33261 2/20 0.37
CYP2D6 P10635 1/20 0.37
ATM Q13315 1/20 0.36
CYP2C9 P11712 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL19627386 1.00 GAA (0.50) GAAMAPTHRH3KCNH2KMT2A
SCHEMBL19627364 0.98 GAA (0.48) GAAMAPTHRH3KCNH2KMT2A
SCHEMBL19627365 0.83 CYP2C19 (0.43) GAAMAPTHRH3KCNH2KMT2A
SCHEMBL19630955 0.81 GAA (0.53) GAAMAPTKMT2ATSHRFKBP1A
SCHEMBL19272299 0.81 GAA (0.53) GAAMAPTKMT2ATSHRFKBP1A
SCHEMBL19627409 0.79 MAPT (0.46) GAAMAPTKMT2AFKBP1AMEN1
SCHEMBL19627415 0.79 MAPT (0.46) GAAMAPTKMT2AFKBP1AMEN1
SCHEMBL19630961 0.79 GAA (0.50) GAAMAPTKMT2ATSHRFKBP1A
SCHEMBL19627404 0.77 MAPT (0.43) GAAMAPTKMT2ATSHRFKBP1A
SCHEMBL13249203 0.76 GAA (0.47) GAAMAPTKMT2ATSHRFKBP1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170334894-A1 Isoxazole Derivatives as FXR Agonists and Methods of Use Thereof ENANTA PHARMACEUTICALS, INC. 2017-11-23 US disclosed
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 (2 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-20170334894-A1 Isoxazole Derivatives as FXR Agonists and Methods of Use Thereof SLC10A1, FXR1, NR1H4 GAA 846/4885MAPT 3863/4885HRH3 879/4885
US-20170333399-A1 Isoxazole Derivatives as FXR Agonists and Methods of Use Thereof SLC10A1, FXR1, SLC10A2 GAA 892/4885MAPT 3933/4885HRH3 901/4885

“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.