SCHEMBL17087847

SCHEMBL17087847

O=C(O)c1cccc([C@H]2C[C@H]2c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc2Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 20/20 1.00
▸ FXR2 P51116 1/20 0.86
▸ HSD17B13 Q7Z5P4 1/20 0.70

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
SCHEMBL17087849 1.00 NR1H4 (1.00) NR1H4FXR2HSD17B13
SCHEMBL1163928 1.00 NR1H4 (1.00) NR1H4FXR2HSD17B13
SCHEMBL17087853 1.00 NR1H4 (1.00) NR1H4FXR2HSD17B13
SCHEMBL12168956 1.00 NR1H4 (1.00) NR1H4FXR2HSD17B13
SCHEMBL29880955 1.00 NR1H4 (1.00) NR1H4FXR2HSD17B13
SCHEMBL12879039 1.00 NR1H4 (1.00) NR1H4FXR2HSD17B13
SCHEMBL1164201 0.94 NR1H4 (0.90) NR1H4FXR2HSD17B13
SCHEMBL29880621 0.94 NR1H4 (0.90) NR1H4FXR2HSD17B13
SCHEMBL24585950 0.94 NR1H4 (0.89) NR1H4FXR2HSD17B13
SCHEMBL12808764 0.93 NR1H4 (0.87) NR1H4FXR2

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 7 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
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
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
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-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.

Send feedback