SCHEMBL20173748

SCHEMBL20173748

COC(=O)c1ccc(C(C)C)cc1-c1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.51
CFTR P13569 1/20 0.51
SLC2A1 P11166 1/20 0.48
CYP11B1 P15538 2/20 0.48
CYP11B2 P19099 2/20 0.48
CYP19A1 P11511 1/20 0.48
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
GABRA1 P14867 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA3 P34903 1/20 0.47
GABRA2 P47869 1/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 1/20 0.46
MKNK1 Q9BUB5 2/20 0.45
MKNK2 Q9HBH9 2/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
TP53 P04637 2/20 0.44

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
SCHEMBL20173750 0.85 AKR1C3 (0.53) AKR1C3AKR1C2ALDH1A1MKNK1MKNK2
SCHEMBL20173749 0.85 SLC6A3 (0.49) AKR1C3AKR1C2GABRA1GABRG2GABRB3
SCHEMBL20118979 0.82 CYP46A1 (0.56) NR4A2CFTRSLC2A1CYP11B1CYP11B2
SCHEMBL8851148 0.82 SLC6A3 (0.49) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL3515912 0.81 CFTR (0.53) NR4A2CFTRSLC2A1CYP11B1CYP11B2
SCHEMBL3515844 0.81 NR4A2 (0.57) NR4A2CFTRSLC2A1CYP11B1CYP11B2
SCHEMBL6777426 0.81 MAPK1 (0.44) NR4A2CFTRSLC2A1CYP11B1CYP11B2
SCHEMBL6777178 0.81 CFTR (0.46) NR4A2CFTRSLC2A1CYP11B1CYP11B2
SCHEMBL20178609 0.80 CFTR (0.52) NR4A2CFTRSLC2A1CYP11B1CYP11B2
SCHEMBL3517564 0.80 CYP11B1 (0.55) NR4A2CFTRSLC2A1CYP11B1CYP11B2

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 NR4A2 585/4885CFTR 32/4885SLC2A1 845/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 NR4A2 585/4885CFTR 32/4885SLC2A1 845/4885

“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.