SCHEMBL19627409

SCHEMBL19627409

CC(C)C(=O)NS(=O)(=O)N1CCCCCC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.44
ALDH1A1 P00352 4/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
FKBP1A P62942 3/20 0.39
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HPGD P15428 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL19627415 1.00 MAPT (0.46) MAPTGAAALDH1A1LMNAHTT
SCHEMBL19627404 0.98 MAPT (0.43) MAPTGAAALDH1A1LMNAHTT
SCHEMBL27021617 0.94 MAPT (0.40) MAPTGAAALDH1A1LMNAHTT
SCHEMBL13712256 0.83 CYP1A2 (0.38) MAPTGAAALDH1A1LMNAPOLB
SCHEMBL27021615 0.81 MEN1 (0.45) POLBMEN1KMT2A
SCHEMBL19627403 0.80 CYP2D6 (0.36) MAPTGAAALDH1A1LMNAHTT
SCHEMBL19627367 0.79 GAA (0.50) MAPTGAAFKBP1AMEN1KMT2A
SCHEMBL19627386 0.79 GAA (0.50) MAPTGAAFKBP1AMEN1KMT2A
SCHEMBL13249203 0.78 GAA (0.47) MAPTGAAALDH1A1FKBP1ACA1
SCHEMBL19631003 0.78 GAA (0.47) MAPTGAAALDH1A1FKBP1ACA1

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-20170333399-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 (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 MAPT 3933/4885GAA 892/4885ALDH1A1 984/4885

“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.