SCHEMBL19630955

SCHEMBL19630955

CNC(=O)NS(=O)(=O)N1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.53
FKBP1A P62942 7/20 0.40
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
GLA P06280 3/20 0.36
KDM4E B2RXH2 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
ALOX12 P18054 1/20 0.35
NFKB1 P19838 1/20 0.35

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
SCHEMBL19272299 1.00 GAA (0.53) GAAFKBP1ACA1CA2POLB
SCHEMBL19630961 0.98 GAA (0.50) GAAFKBP1ACA1CA2POLB
SCHEMBL19627367 0.81 GAA (0.50) GAAFKBP1AKMT2AMEN1TSHR
SCHEMBL19627386 0.81 GAA (0.50) GAAFKBP1AKMT2AMEN1TSHR
SCHEMBL19631025 0.79 GAA (0.36) GAA
SCHEMBL13249203 0.79 GAA (0.47) GAAFKBP1ACA1CA2POLB
SCHEMBL19631003 0.79 GAA (0.47) GAAFKBP1ACA1CA2POLB
SCHEMBL1705467 0.79 GAA (0.46) GAAFKBP1ACA1CA2POLB
SCHEMBL19627364 0.78 GAA (0.48) GAAFKBP1AKMT2AMEN1TSHR
SCHEMBL3204515 0.77 GAA (0.49) GAAFKBP1ACA1CA2POLB

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 846/4885FKBP1A 904/4885CA1 2031/4885
US-20170333399-A1 Isoxazole Derivatives as FXR Agonists and Methods of Use Thereof SLC10A1, FXR1, SLC10A2 GAA 892/4885FKBP1A 961/4885CA1 1943/4885

“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.