SCHEMBL20173732

SCHEMBL20173732

CC(C)c1cccc(C(F)(F)c2cccnc2)c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 5/20 0.41
KIF11 P52732 2/20 0.41
CYP19A1 P11511 3/20 0.41
PTPN5 P54829 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP3A5 P20815 1/20 0.40

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
SCHEMBL20118959 0.79 KIF11 (0.44) KIF11CYP19A1ADORA2AADORA1CYP3A4
SCHEMBL20178529 0.76 ALDH1A1 (0.44) KCNA5KIF11CYP19A1CYP3A4
SCHEMBL255035 0.74 PNMT (0.55) KIF11PTPN5
SCHEMBL23590454 0.72 PTPN5 (0.49) KIF11PTPN5CYP3A4
Ammonia Solution, Strong SCHEMBL27629775 0.72 PNMT (0.53) KIF11PTPN5
SCHEMBL10199855 0.72 PTPN5 (0.49) KIF11PTPN5CYP3A4
SCHEMBL2737287 0.71 CYP2A6 (0.56) CYP19A1CYP3A4
SCHEMBL10236 0.71
SCHEMBL30391667 0.71
SCHEMBL25093469 0.71 PTPN5 (0.51) KIF11PTPN5CYP3A4

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 KCNA5 3190/4885KIF11 3921/4885CYP19A1 1055/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 KCNA5 3190/4885KIF11 3921/4885CYP19A1 1055/4885

“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.