SCHEMBL21882597

SCHEMBL21882597

CC(C)N1CCc2cc(C(O)NS(=O)(=O)c3ccccc3)ccc2C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.41
ESR2 Q92731 1/20 0.40
GAA P10253 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39
ALDH1A1 P00352 1/20 0.39
NPC1 O15118 1/20 0.38
MOGAT2 Q3SYC2 3/20 0.38
KDM4E B2RXH2 1/20 0.38
HTR7 P34969 2/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
TP53 P04637 1/20 0.36
MCOLN2 Q8IZK6 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
MCOLN1 Q9GZU1 1/20 0.36
OGA O60502 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL21882641 0.80 MOGAT2 (0.35) RAB9AESR2HRH3NPC1MOGAT2
SCHEMBL20173799 0.78 PTGS1 (0.44) RAB9ANPC1MAPT
SCHEMBL2741634 0.72 OGA (0.43) RAB9AHRH3ALDH1A1NPC1MOGAT2
SCHEMBL24671534 0.70 OGA (0.41) HRH3ALDH1A1MOGAT2KDM4EOGA
SCHEMBL15235297 0.69 MMP2 (0.55) ALDH1A1
SCHEMBL21361600 0.69 HRH3 (0.47) HRH3ALDH1A1KDM4ECHRM2OGA
SCHEMBL20173793 0.68 ALDH1A1 (0.51) HRH3ALDH1A1KDM4EMAPT
SCHEMBL3879495 0.67 ACACB (0.54) RAB9AESR2HRH3ALDH1A1NPC1
SCHEMBL1083820 0.67 MAOA (0.57) HRH3ALDH1A1KDM4EOGAMAPT
SCHEMBL30561536 0.67 MAOA (0.57) HRH3ALDH1A1KDM4EOGAMAPT

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 RAB9A 2852/4885ESR2 1137/4885GAA 506/4885

“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.