SCHEMBL1179288

SCHEMBL1179288

ON=C(Cl)c1ccccc1OC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 4/20 0.40
KCNK9 Q9NPC2 4/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MGLL Q99685 1/20 0.38
PNLIP P16233 1/20 0.37
GRIN2B Q13224 2/20 0.37
GRIN1 Q05586 1/20 0.37
HSD11B1 P28845 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
F2R P25116 1/20 0.36
ANO1 Q5XXA6 2/20 0.36
GAA P10253 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34

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
SCHEMBL1106365 1.00 KCNK3 (0.40) KCNK3KCNK9CYP11B1CYP11B2ALDH1A1
SCHEMBL9951788 1.00 KCNK3 (0.40) KCNK3KCNK9CYP11B1CYP11B2ALDH1A1
SCHEMBL16502057 0.79 KCNK3 (0.43) KCNK3KCNK9CYP11B1CYP11B2ALDH1A1
SCHEMBL23761699 0.79 ANO1 (0.44) KCNK3KCNK9CYP11B1CYP11B2ALDH1A1
SCHEMBL102459 0.79 GAA (0.42) KCNK3KCNK9CYP11B1CYP11B2ALDH1A1
SCHEMBL102458 0.79 GAA (0.42) KCNK3KCNK9CYP11B1CYP11B2ALDH1A1
SCHEMBL249223 0.78 KCNK3 (0.49) KCNK3KCNK9CYP11B1CYP11B2ALDH1A1
SCHEMBL12954616 0.78 KCNK3 (0.42) KCNK3KCNK9CYP11B1CYP11B2ALDH1A1
SCHEMBL2120412 0.76 CA1 (0.46) KCNK3KCNK9ALDH1A1L3MBTL1
SCHEMBL30210823 0.76 CA1 (0.46) KCNK3KCNK9ALDH1A1L3MBTL1

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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12611401-B2 Combinations comprising benzodioxol as GLP-1R agonists for use in the treatment of NASH/NAFLD and related diseases PFIZER INC. (US) 2026-04-28 US disclosed
EP-3972596-B1 COMBINATIONS COMPRISING BENZODIOXOL AS GLP-1R AGONISTS FOR USE IN THE TREATMENT OF NASH/NAFLD AND RELATED DISEASES PFIZER (US) 2025-07-16 EP disclosed
US-11912674-B2 Isoxazole derivatives as nuclear receptor agonists and uses thereof IL DONG PHARMACEUTICAL CO., LTD. (KR) 2024-02-27 US disclosed
EP-3650449-B1 FXR RECEPTOR AGONIST XUANZHU BIOPHARMACEUTICAL CO LTD (CN) 2023-08-23 EP disclosed
CN-112876467-B FXR receptor agonists 轩竹生物科技股份有限公司 2023-06-16 CN disclosed
US-20230096663-A1 FARNESOID X RECEPTOR MODULATING COMPOUNDS AND METHODS OF USING THE SAME INORBIT THERAPEUTICS AB (SE) 2023-03-30 US disclosed
EP-4106746-A1 FARNESOID X RECEPTOR MODULATING COMPOUNDS AND METHODS OF USING THE SAME INORBIT THERAPEUTICS AB (SE) 2022-12-28 EP disclosed
US-20220387402-A1 COMBINATIONS COMPRISING BENZODIOXOL AS GLP-1R AGONISTS FOR USE IN THE TREATMENT OF NASH/NAFLD AND RELATED DISEASES PFIZER INC. (US) 2022-12-08 US disclosed
US-11352358-B2 FXR agonist Xuanzhu Biopharmaceutical Co., Ltd. (CN) 2022-06-07 US disclosed
US-11339153-B2 Compounds useful in modulating the farnesoid X receptor and methods of making and using the same INORBIT THERAPEUTICS AB (SE) 2022-05-24 US disclosed
EP-2655369-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS IRM LLC (BM) 2013-10-30 EP disclosed
EP-2655370-A1 COMPOSITIONS AND METHODS FOR MODULATING FXR IRM LLC (BM) 2013-10-30 EP disclosed
CN-103370315-A Compositions and methods for modulating farnesoid x receptors IRM LLC 2013-10-23 CN disclosed
US-20130261108-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS IRM LLC (BM) 2013-10-03 US disclosed
WO-2012144752-A1 PHENYL-ISOXAZOL DERIVATIVES AND PREPARATION PROCESS THEREOF IL-YANG PHARM. CO., LTD. (KR) 2012-10-26 WO disclosed
WO-2012087519-A1 COMPOSITIONS AND METHODS FOR MODULATING FXR IRM LLC (BM) 2012-06-28 WO disclosed
WO-2012087520-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS IRM LLC (BM) 2012-06-28 WO disclosed
WO-2012087521-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS IRM LLC (BM) 2012-06-28 WO disclosed
US-20110034507-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2011-02-10 US disclosed
EP-1456182-B1 PYRIMIDINE DERIVATIVES AS MODULATORS OF INSULINE-LIKE GROWTH FACTOR-1 RECEPTOR (IGF-I) ASTRAZENECA AB (SE) 2009-03-11 EP 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 (8 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-11339153-B2 Compounds useful in modulating the farnesoid X receptor and methods of making and using the same NR1H4, SLC10A2, FXR2 KCNK3 4357/4885KCNK9 4557/4885CYP11B1 74/4885
US-20230096663-A1 FARNESOID X RECEPTOR MODULATING COMPOUNDS AND METHODS OF USING THE SAME NR1H4, NR1H3, NR1H2 KCNK3 4633/4885KCNK9 4751/4885CYP11B1 37/4885
US-20220387402-A1 COMBINATIONS COMPRISING BENZODIOXOL AS GLP-1R AGONISTS FOR USE IN THE TREATMENT OF NASH/NAFLD AND RELATED DISEASES GLP1R, GCKR, GCGR KCNK3 484/4885KCNK9 527/4885CYP11B1 702/4885
US-20130261108-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS NR1H4, SLC10A1, GPBAR1 KCNK3 4202/4885KCNK9 4395/4885CYP11B1 23/4885
US-20110034507-A1 FARNESOID X RECEPTOR AGONISTS NR1H4, NR1H3, NR1H2 KCNK3 3741/4885KCNK9 4402/4885CYP11B1 70/4885
US-11352358-B2 FXR agonist NR1H4, FXR1, NR1H3 KCNK3 2682/4885KCNK9 2486/4885CYP11B1 28/4885
US-12611401-B2 Combinations comprising benzodioxol as GLP-1R agonists for use in the treatment of NASH/NAFLD and related diseases GLP1R, GCKR, GPR119 KCNK3 555/4885KCNK9 439/4885CYP11B1 603/4885
US-11912674-B2 Isoxazole derivatives as nuclear receptor agonists and uses thereof NR1H4, NR1H3, NR1H2 KCNK3 2985/4885KCNK9 4210/4885CYP11B1 42/4885

“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.