SCHEMBL20119182

SCHEMBL20119182

CN1CCc2cc(C(=O)NS(=O)(=O)C3(C)CC3)ccc2C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 13/20 0.46
HDAC8 Q9BY41 3/20 0.46
WNT1 P04628 3/20 0.45
GSK3B P49841 3/20 0.45
DYRK1A Q13627 3/20 0.45
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
CLK2 P49760 1/20 0.43
CLK3 P49761 1/20 0.43
F10 P00742 1/20 0.42
DRD1 P21728 1/20 0.40
DRD5 P21918 1/20 0.40

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
SCHEMBL20173798 0.85 HDAC6 (0.44) HDAC6HDAC8HDAC3HDAC1
SCHEMBL20119686 0.85 HDAC6 (0.44) HDAC6HDAC8HDAC3HDAC1
SCHEMBL20119483 0.81 DRD1 (0.46) F10DRD1DRD5
SCHEMBL20119296 0.81 KCNA1 (0.49)
SCHEMBL20119294 0.81 HDAC6 (0.48) HDAC6HDAC8WNT1GSK3BDYRK1A
SCHEMBL20119171 0.79 NPC1 (0.48) HDAC6HDAC8HDAC3HDAC1F10
SCHEMBL23077104 0.78 HDAC6 (0.52) HDAC6HDAC8WNT1GSK3BDYRK1A
SCHEMBL26484688 0.77 HDAC6 (0.51) HDAC6HDAC8WNT1GSK3BDYRK1A
SCHEMBL21882600 0.76 WNT1 (0.46) HDAC6HDAC8WNT1GSK3BDYRK1A
SCHEMBL20119172 0.75 HDAC6 (0.49) HDAC6HDAC8WNT1GSK3BDYRK1A

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 HDAC6 597/4885HDAC8 1166/4885WNT1 3912/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 HDAC6 597/4885HDAC8 1166/4885WNT1 3912/4885

“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.