SCHEMBL20043477

SCHEMBL20043477

O=C(O)c1ccc2nc(N3C4CCC3CC(NCc3c(-c5ccccc5OC(F)(F)F)noc3C3CC3)C4)sc2c1

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 19/20 0.81
▸ FXR2 P51116 1/20 0.55
▸ HSD17B13 Q7Z5P4 1/20 0.52

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
SCHEMBL20048976 0.97 NR1H4 (0.77) NR1H4FXR2HSD17B13
SCHEMBL21703964 0.92 NR1H4 (0.74) NR1H4FXR2HSD17B13
SCHEMBL20043485 0.92 NR1H4 (0.69) NR1H4FXR2
SCHEMBL20049503 0.91 NR1H4 (0.70) NR1H4FXR2HSD17B13
SCHEMBL19739533 0.90 NR1H4 (1.00) NR1H4FXR2
SCHEMBL17128508 0.90 NR1H4 (1.00) NR1H4FXR2
SCHEMBL17861443 0.90 NR1H4 (1.00) NR1H4FXR2
SCHEMBL17128505 0.90 NR1H4 (1.00) NR1H4FXR2
SCHEMBL9958227 0.90 NR1H4 (1.00) NR1H4FXR2
SCHEMBL20043507 0.90 NR1H4 (0.67) NR1H4

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 4 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

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 3/4885FXR2 6/4885HSD17B13 310/4885
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF GPBAR1, SLC10A1, NR1H4 NR1H4 3/4885FXR2 6/4885HSD17B13 310/4885
US-11034684-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 NR1H4 3/4885FXR2 6/4885HSD17B13 310/4885

“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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