SCHEMBL20173751

SCHEMBL20173751

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.52
CFTR P13569 1/20 0.49
NR4A2 P43354 3/20 0.47
CYP11B1 P15538 3/20 0.46
CYP11B2 P19099 3/20 0.46
CYP19A1 P11511 1/20 0.46
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
PSMD14 O00487 1/20 0.45
NPC1 O15118 1/20 0.45
USP2 O75604 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
ALOX15 P16050 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
GABRA1 P14867 1/20 0.45
GABRG2 P18507 1/20 0.45

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
SCHEMBL20178571 0.86 KDM4E (0.50) SLC2A1CFTRNR4A2CYP11B1CYP11B2
SCHEMBL20173753 0.86 KDM4E (0.50) SLC2A1CYP11B1CYP11B2NPC1TP53
SCHEMBL15818525 0.80 SLC2A1 (0.64) SLC2A1CFTRNR4A2CYP11B1CYP11B2
SCHEMBL20118975 0.80 SLC2A1 (0.54) SLC2A1CFTRNR4A2CYP11B1CYP11B2
SCHEMBL20173748 0.80 NR4A2 (0.51) SLC2A1CFTRNR4A2CYP11B1CYP11B2
SCHEMBL20118979 0.78 CYP46A1 (0.56) SLC2A1CFTRNR4A2CYP11B1CYP11B2
SCHEMBL20178608 0.75 MKNK1 (0.49) CYP11B1CYP11B2CYP19A1NPC1MAPT
SCHEMBL8700823 0.74 CFTR (0.48) SLC2A1CFTRNR4A2CYP11B1CYP11B2
SCHEMBL30118927 0.74 KMT2A (0.61) SLC2A1CFTRNR4A2CYP11B1CYP11B2
SCHEMBL13435236 0.74 KMT2A (0.61) SLC2A1CFTRNR4A2CYP11B1CYP11B2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 845/4885CFTR 32/4885NR4A2 585/4885

“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.