SCHEMBL21882641

SCHEMBL21882641

CC(C)N1CCc2cc(C(O)NS(=O)(=O)C3(C)CC3)ccc2C1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MOGAT2 Q3SYC2 1/20 0.35
ACACB O00763 8/20 0.34
HRH3 Q9Y5N1 4/20 0.34
HSP90AA1 P07900 1/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 1/20 0.32
MMP14 P50281 1/20 0.32
OGA O60502 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL21882597 0.80 RAB9A (0.41) MOGAT2HRH3ESR2OGANPC1
SCHEMBL20173798 0.78 HDAC6 (0.44)
SCHEMBL20173801 0.76 KCNA1 (0.47) NPC1RAB9AKMT2A
SCHEMBL20173802 0.76 HRH3 (0.39) ACACBHRH3ESR1ESR2MMP9
SCHEMBL2741634 0.75 OGA (0.43) MOGAT2ACACBHRH3HSP90AA1OGA
SCHEMBL24671534 0.70 OGA (0.41) MOGAT2ACACBHRH3HSP90AA1OGA
SCHEMBL10199349 0.69 HRH3 (0.48) HRH3OGANPC1MAPTRAB9A
SCHEMBL3879495 0.67 ACACB (0.54) ACACBHRH3ESR1ESR2NPC1
SCHEMBL13791770 0.67 HDAC6 (0.42) ACACBHRH3HSP90AA1MAPTRAB9A
SCHEMBL15142196 0.66 DRD1 (0.54) HRH3ESR1ESR2

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 MOGAT2 1605/4885ACACB 797/4885HRH3 582/4885

“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.