SCHEMBL14901037

SCHEMBL14901037

CCCCC(CCCC)(CS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cc1ccc(OC)cc1)C(OC)OC

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 1/20 0.40
CYP19A1 P11511 2/20 0.39
CNR2 P34972 2/20 0.38
CNR1 P21554 1/20 0.38
ACHE P22303 1/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 1/20 0.38
CRHBP P24387 1/20 0.38
KMT2A Q03164 1/20 0.38
CRHR2 Q13324 1/20 0.38
POLB P06746 2/20 0.37
GAA P10253 1/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
KCNJ1 P48048 1/20 0.35
KCNH2 Q12809 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL6202677 0.85 TBXA2R (0.40) TBXA2RCYP19A1CNR2CNR1ACHE
SCHEMBL28565640 0.75 CYP19A1 (0.48) CYP19A1CNR2MAPTMEN1CRHBP
SCHEMBL16200825 0.72 MAPT (0.40) TBXA2RCYP19A1CNR2CNR1ACHE
SCHEMBL6203512 0.70 TBXA2R (0.40) TBXA2RCYP19A1CNR2CNR1ACHE
SCHEMBL28946651 0.69 CA12 (0.48) TBXA2RCYP19A1CNR2MAPTMEN1
SCHEMBL6202633 0.69 ALDH1A1 (0.40) TBXA2RCYP19A1CNR1MAPTMEN1
SCHEMBL6199119 0.69 NPSR1 (0.55) CYP19A1MAPTMEN1CRHBPKMT2A
SCHEMBL6200633 0.67 MMP2 (0.38) CNR2CNR1MAPTMEN1KMT2A
SCHEMBL14880488 0.66 KCNJ1 (0.63) MAPTMEN1CRHBPKMT2ACRHR2
SCHEMBL6201097 0.66 CNR1 (0.38) CNR2CNR1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212211-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF HYPERCHOLEMIA AND CHOLESTATIC LIVER DISEASE SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2023-07-06 US disclosed
US-20170368085-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF PEDIATRIC CHOLESTATIC LIVER DISEASES LUMENA PHARMACEUTICALS LLC (US) 2017-12-28 US disclosed
US-20160310518-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF PEDIATRIC CHOLESTATIC LIVER DISEASES LUMENA PHARMACEUTICALS LLC (US) 2016-10-27 US disclosed
US-20160310518-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF PEDIATRIC CHOLESTATIC LIVER DISEASES LUMENA PHARMACEUTICALS LLC (US) 2016-10-27 US disclosed
US-20140275090-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF PRIMARY SCLEROSING CHOLANGITIS AND INFLAMMATORY BOWEL DISEASE Lumena Pharmaceuticals, Inc. (US) 2014-09-18 US disclosed
US-20140275090-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF PRIMARY SCLEROSING CHOLANGITIS AND INFLAMMATORY BOWEL DISEASE Lumena Pharmaceuticals, Inc. (US) 2014-09-18 US disclosed
US-20140271734-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF BARRETT'S ESOPHAGUS AND GASTROESOPHAGEAL REFLUX DISEASE Lumena Pharmaceuticals, Inc. 2014-09-18 US disclosed
US-20140271734-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF BARRETT'S ESOPHAGUS AND GASTROESOPHAGEAL REFLUX DISEASE Lumena Pharmaceuticals, Inc. 2014-09-18 US disclosed
US-20140243281-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF PEDIATRIC CHOLESTATIC LIVER DISEASES Lumena Pharmaceuticals, Inc. (US) 2014-08-28 US disclosed
US-20140243281-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF PEDIATRIC CHOLESTATIC LIVER DISEASES Lumena Pharmaceuticals, Inc. (US) 2014-08-28 US disclosed
US-20130109671-A1 Bile Acid Recycling Inhibitors for Treatment of Pediatric Cholestatic Liver Diseases Lumena Pharmaceuticals, Inc. (US) 2013-05-02 US disclosed
US-20130108573-A1 Bile Acid Recycling Inhibitors for Treatment of Hypercholemia and Cholestatic Liver Disease Lumena Pharmaceuticals, Inc. (US) 2013-05-02 US disclosed
US-20130109671-A1 Bile Acid Recycling Inhibitors for Treatment of Pediatric Cholestatic Liver Diseases Lumena Pharmaceuticals, Inc. (US) 2013-05-02 US disclosed
US-20130108573-A1 Bile Acid Recycling Inhibitors for Treatment of Hypercholemia and Cholestatic Liver Disease Lumena Pharmaceuticals, Inc. (US) 2013-05-02 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 (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-20230212211-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF HYPERCHOLEMIA AND CHOLESTATIC LIVER DISEASE SLC10A1, SLC10A2, ABCB11 TBXA2R 4035/4885CYP19A1 2563/4885CNR2 3681/4885
US-20170368085-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF PEDIATRIC CHOLESTATIC LIVER DISEASES SLC10A1, SLC10A2, ABCB11 TBXA2R 4620/4885CYP19A1 1737/4885CNR2 4747/4885
US-20130109671-A1 Bile Acid Recycling Inhibitors for Treatment of Pediatric Cholestatic Liver Diseases SLC10A1, SLC10A2, ABCB11 TBXA2R 4620/4885CYP19A1 1737/4885CNR2 4747/4885
US-20140243281-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF PEDIATRIC CHOLESTATIC LIVER DISEASES SLC10A1, SLC10A2, ABCB11 TBXA2R 4653/4885CYP19A1 1809/4885CNR2 4722/4885
US-20140275090-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF PRIMARY SCLEROSING CHOLANGITIS AND INFLAMMATORY BOWEL DISEASE SLC10A2, SLC10A1, ABCB11 TBXA2R 3234/4885CYP19A1 3904/4885CNR2 3998/4885
US-20140271734-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF BARRETT'S ESOPHAGUS AND GASTROESOPHAGEAL REFLUX DISEASE SLC10A2, SLC10A1, ABCB11 TBXA2R 2906/4885CYP19A1 4546/4885CNR2 4342/4885
US-20130108573-A1 Bile Acid Recycling Inhibitors for Treatment of Hypercholemia and Cholestatic Liver Disease SLC10A1, SLC10A2, ABCB11 TBXA2R 4035/4885CYP19A1 2563/4885CNR2 3681/4885
US-20160310518-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF PEDIATRIC CHOLESTATIC LIVER DISEASES SLC10A1, SLC10A2, ABCB11 TBXA2R 4620/4885CYP19A1 1737/4885CNR2 4747/4885

“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.