SCHEMBL20043357

SCHEMBL20043357

CCOC(=O)c1ccc2nc(N3CCC(N(C)Cc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)CC3)sc2c1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 18/20 0.64
▸ PCSK9 Q8NBP7 2/20 0.50

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
SCHEMBL20049131 0.92 NR1H4 (0.62) NR1H4PCSK9
SCHEMBL20043359 0.91 NR1H4 (0.75) NR1H4
SCHEMBL20043341 0.89 NR1H4 (0.54) NR1H4
SCHEMBL20047724 0.88 NR1H4 (0.66) NR1H4PCSK9
SCHEMBL20043350 0.87 NR1H4 (0.65) NR1H4PCSK9
SCHEMBL20049260 0.85 NR1H4 (0.62) NR1H4PCSK9
SCHEMBL15294128 0.85 NR1H4 (0.77) NR1H4
SCHEMBL20049487 0.85 NR1H4 (0.65) NR1H4PCSK9
SCHEMBL9958959 0.84 NR1H4 (0.75) NR1H4
SCHEMBL9959079 0.83 NR1H4 (0.72) NR1H4PCSK9

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 5 patents. 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
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
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-04-12 — — US disclosed
WO-2018067704-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2018-04-12 — — WO 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 (3 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 NR1H4 3/4885PCSK9 165/4885
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF GPBAR1, SLC10A1, NR1H4 NR1H4 3/4885PCSK9 165/4885
US-11034684-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 NR1H4 3/4885PCSK9 165/4885

“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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