SCHEMBL20119295

SCHEMBL20119295

CN1CCc2cc(C(=O)NCCS(=O)(=O)O)ccc2C1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 1/20 0.47
OPRM1 P35372 3/20 0.45
POLB P06746 1/20 0.45
DRD2 P14416 3/20 0.44
DRD3 P35462 3/20 0.44
PPARD Q03181 1/20 0.44
AKR1C3 P42330 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
OPRK1 P41145 4/20 0.43
WNT1 P04628 1/20 0.43
GSK3B P49841 1/20 0.43
DYRK1A Q13627 1/20 0.43
OPRD1 P41143 1/20 0.42
F10 P00742 1/20 0.42

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
SCHEMBL21882600 0.88 WNT1 (0.46) SMN1; SMN2HTTOPRM1POLBHDAC8
SCHEMBL20173806 0.85 OPRK1 (0.45) SMN1; SMN2HTTOPRM1POLBHDAC8
SCHEMBL26487314 0.85 NAMPT (0.55) OPRM1
SCHEMBL20119170 0.80 USP5 (0.47) SMN1; SMN2HTTOPRM1HDAC8HDAC6
SCHEMBL23077104 0.78 HDAC6 (0.52) SMN1; SMN2AKR1C3HDAC8HDAC6WNT1
SCHEMBL26484688 0.77 HDAC6 (0.51) HDAC8HDAC6WNT1GSK3BDYRK1A
SCHEMBL20119294 0.76 HDAC6 (0.48) HDAC8HDAC6WNT1GSK3BDYRK1A
SCHEMBL20119172 0.75 HDAC6 (0.49) HDAC8HDAC6WNT1GSK3BDYRK1A
SCHEMBL26484685 0.74 NAMPT (0.52) SMN1; SMN2HTTHDAC8HDAC6WNT1
SCHEMBL20119171 0.74 NPC1 (0.48) AKR1C3HDAC8HDAC6F10

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-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2020-03-24 US disclosed
US-20180141941-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-05-24 US disclosed
WO-2018081285-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2018-05-03 WO 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-20180141941-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF NR1H4, FXR1, SLC10A1 SMN1; SMN2 4665/4885HTT 3363/4885OPRM1 1051/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 SMN1; SMN2 4665/4885HTT 3363/4885OPRM1 1051/4885

“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.