SCHEMBL17079112

SCHEMBL17079112

[2H]C([2H])(Oc1ccc(C2CC2c2cccc(C(=O)O)c2)c(Cl)c1)c1c(-c2c(Cl)cccc2Cl)noc1C1CC1

nearest known ligand 0.85

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 20/20 0.85
▸ FXR2 P51116 1/20 0.74
▸ HSD17B13 Q7Z5P4 1/20 0.59

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
SCHEMBL18337966 1.00 NR1H4 (0.85) NR1H4FXR2HSD17B13
SCHEMBL18337990 0.94 NR1H4 (0.85) NR1H4FXR2HSD17B13
SCHEMBL17079095 0.94 NR1H4 (0.85) NR1H4FXR2HSD17B13
SCHEMBL18337987 0.94 NR1H4 (0.85) NR1H4FXR2HSD17B13
SCHEMBL18347367 0.94 NR1H4 (0.85) NR1H4FXR2HSD17B13
SCHEMBL18337968 0.94 NR1H4 (0.85) NR1H4FXR2HSD17B13
SCHEMBL17087847 0.92 NR1H4 (1.00) NR1H4FXR2HSD17B13
SCHEMBL17087849 0.92 NR1H4 (1.00) NR1H4FXR2HSD17B13
SCHEMBL29880955 0.92 NR1H4 (1.00) NR1H4FXR2HSD17B13
SCHEMBL1163928 0.92 NR1H4 (1.00) NR1H4FXR2HSD17B13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10077268-B2 FXR agonists and methods for making and using SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2018-09-18 — — US disclosed
EP-3267991-A1 TREATING LATENT AUTOIMMUNE DIABETES OF ADULTS WITH FARNESOID X RECEPTOR AGONISTS TO ACTIVATE INTESTINAL RECEPTORS Salk Institute for Biological Studies (US) 2018-01-17 — — EP disclosed
US-20180000768-A1 INTESTINAL FXR AGONISM ENHANCES GLP-1 SIGNALING TO RESTORE PANCREATIC BETA CELL FUNCTIONS SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2018-01-04 — — US disclosed
WO-2017078928-A1 FXR AGONISTS AND METHODS FOR MAKING AND USING SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2017-05-11 — — WO disclosed
EP-3116878-A1 FXR AGONISTS AND METHODS FOR MAKING AND USING Salk Institute for Biological Studies (US) 2017-01-18 — — EP disclosed
US-20160376279-A1 FXR AGONISTS AND METHODS FOR MAKING AND USING SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2016-12-29 — — US disclosed
US-20160376279-A1 FXR AGONISTS AND METHODS FOR MAKING AND USING SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2016-12-29 — — US disclosed
WO-2016149111-A1 TREATING LATENT AUTOIMMUNE DIABETES OF ADULTS WITH FARNESOID X RECEPTOR AGONISTS TO ACTIVATE INTESTINAL RECEPTORS SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2016-09-22 — — WO disclosed
WO-2015138986-A1 FXR AGONISTS AND METHODS FOR MAKING AND USING SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2015-09-17 — — 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-20180000768-A1 INTESTINAL FXR AGONISM ENHANCES GLP-1 SIGNALING TO RESTORE PANCREATIC BETA CELL FUNCTIONS GLP1R, GIPR, FXR1 NR1H4 10/4885FXR2 6/4885HSD17B13 1618/4885
US-10077268-B2 FXR agonists and methods for making and using NR1H4, FXR2, FXR1 NR1H4 1/4885FXR2 2/4885HSD17B13 573/4885
US-20160376279-A1 FXR AGONISTS AND METHODS FOR MAKING AND USING NR1H4, FXR2, FXR1 NR1H4 1/4885FXR2 2/4885HSD17B13 573/4885

“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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