SCHEMBL20173802

SCHEMBL20173802

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.39
ACACB O00763 3/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
ACHE P22303 3/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
MMP1 P03956 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
AKR1C3 P42330 1/20 0.35
LIPE Q05469 1/20 0.35
ABHD6 Q9BV23 1/20 0.35

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
SCHEMBL20119483 0.86 DRD1 (0.46) HRH3CA1CA2CA7CA9
SCHEMBL20173798 0.83 HDAC6 (0.44) CA1CA2CA7CA9CA14
SCHEMBL20173801 0.81 KCNA1 (0.47) CA1CA2CA9
SCHEMBL21882641 0.76 MOGAT2 (0.35) HRH3ACACBESR1ESR2MMP9
SCHEMBL16624021 0.75 HRH3 (0.51) HRH3ACACBESR1ESR2ABHD6
SCHEMBL18033523 0.71 HRH3 (0.48) HRH3CA2CA9ALDH1A1ESR1
SCHEMBL29557542 0.71 DRD1 (0.57) HRH3CA1CA2CA7CA9
SCHEMBL13521646 0.71 DRD1 (0.57) HRH3CA1CA2CA7CA9
SCHEMBL16624035 0.70 HRH3 (0.49) HRH3ACACBKDM4EALDH1A1ESR1
SCHEMBL16624033 0.69 HRH3 (0.47) HRH3ESR1ESR2ABHD6

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
US-20180141941-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-05-24 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 (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 HRH3 582/4885ACACB 797/4885CA1 2735/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 HRH3 582/4885ACACB 797/4885CA1 2735/4885

“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.