SCHEMBL20118975

SCHEMBL20118975

COC(=O)c1cc(OC)c(C)cc1-c1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.54
KDM4E B2RXH2 2/20 0.53
MKNK1 Q9BUB5 2/20 0.51
MKNK2 Q9HBH9 2/20 0.51
CFTR P13569 1/20 0.51
ABCB1 P08183 2/20 0.50
ABCC1 P33527 2/20 0.50
NR4A2 P43354 2/20 0.49
GABRA1 P14867 1/20 0.49
GABRG2 P18507 1/20 0.49
GABRB3 P28472 1/20 0.49
GABRA3 P34903 1/20 0.49
GABRA2 P47869 1/20 0.49
MAPT P10636 2/20 0.48
CYP11B1 P15538 3/20 0.48
CYP11B2 P19099 3/20 0.48
CYP19A1 P11511 1/20 0.48
EGFR P00533 1/20 0.47
FGFR1 P11362 1/20 0.47
KDR P35968 1/20 0.47

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
SCHEMBL20118972 0.88 KDM4E (0.53) SLC2A1KDM4EMKNK1MKNK2ABCB1
SCHEMBL20118978 0.85 KDM4E (0.51) SLC2A1KDM4EMKNK1MKNK2CFTR
SCHEMBL20178571 0.84 KDM4E (0.50) SLC2A1KDM4EMKNK1MKNK2CFTR
SCHEMBL15818525 0.80 SLC2A1 (0.64) SLC2A1KDM4EMKNK1MKNK2CFTR
SCHEMBL20118979 0.80 CYP46A1 (0.56) SLC2A1KDM4EMKNK1MKNK2CFTR
SCHEMBL20173751 0.80 SLC2A1 (0.52) SLC2A1KDM4EMKNK1MKNK2CFTR
SCHEMBL23326169 0.79 MKNK1 (0.56) KDM4EMKNK1MKNK2MAPTCYP11B1
SCHEMBL29775379 0.79 MKNK1 (0.56) KDM4EMKNK1MKNK2MAPTCYP11B1
SCHEMBL16053905 0.78 KDM4E (0.44) KDM4EALDH1A1MAPK1
SCHEMBL30843888 0.77 MKNK1 (0.69) KDM4EMKNK1MKNK2ABCB1ABCC1

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
WO-2018081285-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2018-05-03 WO 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 SLC2A1 845/4885KDM4E 4005/4885MKNK1 2992/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 SLC2A1 845/4885KDM4E 4005/4885MKNK1 2992/4885

“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.