SCHEMBL19627366

SCHEMBL19627366

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
MAPT P10636 1/20 0.35
TBXA2R P21731 4/20 0.35
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
HRH3 Q9Y5N1 5/20 0.34
KCNH2 Q12809 1/20 0.34
EPHX1 P07099 1/20 0.33

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
SCHEMBL19271825 0.75 CA1 (0.46) CA1CA2ALDH1A1MEN1KMT2A
SCHEMBL17774454 0.75 CA2 (0.39) CA1CA2CA12CA9MAPT
SCHEMBL19627370 0.73 CA1 (0.46) CA1CA2CA12CA9MAPT
SCHEMBL9911480 0.73 CA1 (0.44) CA1CA2CA12CA9ALDH1A1
SCHEMBL17774458 0.73 ALDH1A1 (0.39) CA1CA2CA12CA9MAPT
SCHEMBL22991085 0.71 ALDH1A1 (0.42) CA1CA2CA12CA9MAPT
SCHEMBL19627368 0.71 CA12 (0.37) CA1CA2CA12CA9MAPT
SCHEMBL19267843 0.70 CA1 (0.41) CA1CA2TBXA2RLMNA
SCHEMBL19627374 0.70 CA12 (0.37) CA1CA2CA12CA9MAPT
SCHEMBL19630967 0.70 CA1 (0.41) CA1CA2ALDH1A1LMNAKMT2A

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-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
US-20170334894-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 CA1 2031/4885CA2 1683/4885CA12 3305/4885
US-20170333399-A1 Isoxazole Derivatives as FXR Agonists and Methods of Use Thereof SLC10A1, FXR1, SLC10A2 CA1 1943/4885CA2 1722/4885CA12 3283/4885

“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.