SCHEMBL21882599

SCHEMBL21882599

CC(C)N1CCc2cc(C(=O)NCS(=O)(=O)O)ccc2C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.43
HDAC8 Q9BY41 1/20 0.43
OPRK1 P41145 6/20 0.42
OPRM1 P35372 2/20 0.42
PTGER1 P34995 1/20 0.42
PRMT5 O14744 3/20 0.42
OPRD1 P41143 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
HSP90AA1 P07900 1/20 0.40
MAPT P10636 1/20 0.40
POLB P06746 1/20 0.40
WDR77 Q9BQA1 1/20 0.39

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
SCHEMBL20173806 0.89 OPRK1 (0.45) HDAC6HDAC8OPRK1OPRM1PTGER1
SCHEMBL21882600 0.84 WNT1 (0.46) HDAC6HDAC8OPRM1PRMT5SMN1; SMN2
SCHEMBL20173805 0.83 HDAC6 (0.44) HDAC6HDAC8OPRK1OPRM1PTGER1
SCHEMBL25873240 0.80 POLB (0.50) HDAC6HDAC8PTGER1HTTHSP90AA1
SCHEMBL20173800 0.79 HDAC6 (0.46) HDAC6HDAC8OPRK1OPRM1PTGER1
SCHEMBL20173798 0.77 HDAC6 (0.44) HDAC6HDAC8PTGER1
SCHEMBL20173799 0.77 PTGS1 (0.44) HDAC6HDAC8OPRK1OPRM1PTGER1
SCHEMBL20173793 0.77 ALDH1A1 (0.51) HDAC6HDAC8PTGER1MAPT
SCHEMBL3879495 0.76 ACACB (0.54) HDAC6HDAC8PTGER1SMN1; SMN2
SCHEMBL13791770 0.76 HDAC6 (0.42) HDAC6HDAC8PTGER1HSP90AA1MAPT

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 1 patent. 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

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-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 HDAC6 597/4885HDAC8 1166/4885OPRK1 1349/4885

“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.