SCHEMBL23502449

SCHEMBL23502449

CCCC(C)(CC)c1cccc2nc(C(C)(C)C)c(C(F)(F)F)nc12

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 2/20 0.33
▸ NR1H3 Q13133 1/20 0.33
▸ GAA P10253 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ MAPT P10636 1/20 0.30

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
SCHEMBL20047490 0.92 NR1H2 (0.35) NR1H2NR1H3GAAKDM4EMAPT
SCHEMBL20047554 0.82 GAA (0.38) NR1H2NR1H3GAAKDM4EMAPT
SCHEMBL20047580 0.82 GAA (0.38) NR1H2NR1H3GAAKDM4EMAPT
SCHEMBL20047581 0.79 TLR8 (0.32) NR1H2NR1H3
SCHEMBL23502473 0.77 TLR8 (0.33) NR1H2NR1H3
SCHEMBL20047543 0.74 — —
SCHEMBL20989986 0.74 CA2 (0.40) NR1H2GAAMAPT
SCHEMBL20047526 0.73 — —
SCHEMBL23502475 0.73 TLR8 (0.33) KDM4EMAPT
SCHEMBL23502452 0.72 TLR8 (0.34) KDM4EMAPT

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-11034684-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2021-06-15 — — 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-11034684-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 NR1H2 9/4885NR1H3 7/4885GAA 614/4885

“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.

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