SCHEMBL20173749

SCHEMBL20173749

COC(=O)c1ccc(C(C)C)cc1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.49
SLC6A4 P31645 3/20 0.49
SLC6A2 P23975 1/20 0.49
GABRA1 P14867 2/20 0.48
GABRG2 P18507 2/20 0.48
GABRB3 P28472 2/20 0.48
GABRA3 P34903 2/20 0.48
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
EGFR P00533 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
LMNA P02545 1/20 0.44
FGFR1 P11362 1/20 0.43
SRC P12931 1/20 0.43
FGFR2 P21802 1/20 0.43
FGFR4 P22455 1/20 0.43

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
SCHEMBL8851148 0.91 SLC6A3 (0.49) SLC6A3SLC6A4SLC6A2GABRA1GABRG2
SCHEMBL24579589 0.87 SLC6A3 (0.49) SLC6A3SLC6A4SLC6A2GABRA1GABRG2
SCHEMBL20173748 0.85 NR4A2 (0.51) GABRA1GABRG2GABRB3GABRA3ALDH1A1
SCHEMBL20173747 0.84 RXRA (0.49) MAPTMEN1KMT2AHPGDLMNA
SCHEMBL29978969 0.81 SLC6A3 (0.71) SLC6A3SLC6A4SLC6A2ALDH1A1KDM4E
SCHEMBL6797969 0.81 SLC6A3 (0.71) SLC6A3SLC6A4SLC6A2ALDH1A1KDM4E
SCHEMBL10414622 0.81 SLC6A3 (0.57) SLC6A3SLC6A4SLC6A2ALDH1A1KDM4E
SCHEMBL6698627 0.81 CYP46A1 (0.50) SLC6A3SLC6A4SLC6A2ALDH1A1KDM4E
SCHEMBL12121707 0.80 GABRA1 (0.62) SLC6A3SLC6A4SLC6A2GABRA1GABRG2
SCHEMBL24579588 0.80 GABRA1 (0.41) SLC6A3SLC6A4SLC6A2GABRA1GABRG2

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 SLC6A3 2092/4885SLC6A4 1417/4885SLC6A2 1707/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 SLC6A3 2092/4885SLC6A4 1417/4885SLC6A2 1707/4885

“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.