SCHEMBL20047718

SCHEMBL20047718

CCCCCC(C)(CC)c1ccc(F)cn1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.31
▸ BRS3 P32247 1/20 0.31
▸ TLR8 Q9NR97 2/20 0.30
▸ KCNH3 Q9ULD8 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
SCHEMBL22023766 0.95 TLR8 (0.33) ALDH1A1BRS3TLR8
SCHEMBL19177001 0.92 PSMD14 (0.33) TLR8KCNH3
SCHEMBL22624130 0.92 TLR8 (0.33) TLR8KCNH3
SCHEMBL23502493 0.89 PSMD14 (0.32) —
SCHEMBL19464697 0.89 ALDH1A1 (0.33) ALDH1A1BRS3
SCHEMBL18505949 0.85 ALDH1A1 (0.37) ALDH1A1BRS3
SCHEMBL22601465 0.83 CNR2 (0.38) —
SCHEMBL26836559 0.81 CNR2 (0.37) ALDH1A1
SCHEMBL20031198 0.81 HPGD (0.35) ALDH1A1TLR8
SCHEMBL20031361 0.78 TLR8 (0.31) TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10450306-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2019-10-22 — — US disclosed
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-04-12 — — 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-10450306-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 ALDH1A1 1577/4885BRS3 315/4885TLR8 901/4885
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF GPBAR1, SLC10A1, NR1H4 ALDH1A1 1577/4885BRS3 315/4885TLR8 901/4885

“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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