SCHEMBL7365048

SCHEMBL7365048

COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 13/20 0.68
CXCR3 P49682 2/20 0.64
PTGES O14684 1/20 0.64
TAS2R8 Q9NYW2 1/20 0.64
CNR1 P21554 1/20 0.62
CNR2 P34972 1/20 0.62
APLNR P35414 1/20 0.59
MEP1B Q16820 1/20 0.57
MAPT P10636 1/20 0.57
PKM P14618 1/20 0.57

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
SCHEMBL27083325 0.92 TAS2R14 (0.60) TAS2R14CXCR3PTGESTAS2R8CNR1
SCHEMBL4012164 0.88 TAS2R14 (0.53) TAS2R14CXCR3PTGESTAS2R8CNR1
SCHEMBL2109904 0.88 TAS2R14 (0.68) TAS2R14CXCR3PTGESTAS2R8CNR1
SCHEMBL20594841 0.85 TAS2R14 (0.68) TAS2R14CXCR3PTGESTAS2R8CNR1
SCHEMBL22501451 0.85 TAS2R14 (0.68) TAS2R14CXCR3PTGESTAS2R8CNR1
SCHEMBL1888996 0.85 TAS2R14 (0.81) TAS2R14CXCR3PTGESTAS2R8CNR1
SCHEMBL2445958 0.84 TAS2R14 (0.82) TAS2R14CXCR3PTGESTAS2R8CNR1
SCHEMBL28729777 0.84 TAS2R14 (0.80) TAS2R14CXCR3PTGESTAS2R8CNR1
SCHEMBL1893819 0.83 TAS2R14 (0.72) TAS2R14CXCR3PTGESTAS2R8CNR1
SCHEMBL24724011 0.83 TAS2R14 (0.62) TAS2R14CXCR3PTGESTAS2R8CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240327452-A1 Bile Acid Derivatives as FXR/TGR5 Agonists and Methods of Use Thereof ENANTA PHARM INC (US) 2024-10-03 US disclosed
US-11958879-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2024-04-16 US disclosed
US-20230113609-A1 SSTR5 ANTAGONISTS KALLYOPE, INC. 2023-04-13 US disclosed
US-20230041621-A1 SSTR5 ANTAGONISTS KALLYOPE, INC. 2023-02-09 US disclosed
US-20220402966-A1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF ENANTA PHARM INC (US) 2022-12-22 US disclosed
CN-115380036-A SSTR5 antagonists 卡尔优普公司 2022-11-22 CN disclosed
EP-4073075-A1 SSTR5 ANTAGONISTS Kallyope, Inc. (US) 2022-10-19 EP disclosed
EP-4069702-A1 SSTR5 ANTAGONISTS Kallyope, Inc. (US) 2022-10-12 EP disclosed
US-11040998-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2021-06-22 US disclosed
WO-2021113368-A1 SSTR5 ANTAGONISTS KALLYOPE, INC. (US) 2021-06-10 WO disclosed
EP-3277286-B1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF ENANTA PHARM INC (US) 2021-04-21 EP disclosed
US-20200109164-A1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF ENANTA PHARM INC (US) 2020-04-09 US disclosed
US-10457703-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2019-10-29 US disclosed
EP-3277286-A1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF Enanta Pharmaceuticals, Inc. (US) 2018-02-07 EP disclosed
WO-2016161003-A1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF ENANTA PHAMRACEUTICALS, INC. (US) 2016-10-06 WO disclosed
US-20160289262-A1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2016-10-06 US disclosed
US-20160289262-A1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2016-10-06 US disclosed
EP-0873311-A1 TRI-ARYL ETHANE DERIVATIVES AS PDE IV INHIBITORS MERCK FROSST CANADA INC. (CA) 1998-10-28 EP disclosed
US-5710170-A Tri-aryl ethane derivatives as PDE IV inhibitors MERCK FROSST CANADA, INC. (CA) 1998-01-20 US disclosed
WO-1997022586-A1 TRI-ARYL ETHANE DERIVATIVES AS PDE IV INHIBITORS MERCK FROSST CANADA INC. (CA) 1997-06-26 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 (9 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-11040998-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof GPBAR1, NR1H4, SLC10A1 TAS2R14 575/4885CXCR3 313/4885PTGES 1341/4885
US-11958879-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof GPBAR1, NR1H4, SLC10A1 TAS2R14 575/4885CXCR3 313/4885PTGES 1341/4885
US-20230113609-A1 SSTR5 ANTAGONISTS SSTR5, GLP1R, GPR119 TAS2R14 334/4885CXCR3 1587/4885PTGES 2056/4885
US-20220402966-A1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF GPBAR1, NR1H4, SLC10A1 TAS2R14 575/4885CXCR3 313/4885PTGES 1341/4885
US-20160289262-A1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF GPBAR1, NR1H4, SLC10A1 TAS2R14 575/4885CXCR3 313/4885PTGES 1341/4885
US-20200109164-A1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF GPBAR1, NR1H4, SLC10A1 TAS2R14 575/4885CXCR3 313/4885PTGES 1341/4885
US-10457703-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof GPBAR1, NR1H4, SLC10A1 TAS2R14 575/4885CXCR3 313/4885PTGES 1341/4885
US-20240327452-A1 Bile Acid Derivatives as FXR/TGR5 Agonists and Methods of Use Thereof GPBAR1, NR1H4, SLC10A1 TAS2R14 575/4885CXCR3 313/4885PTGES 1341/4885
US-20230041621-A1 SSTR5 ANTAGONISTS SSTR5, GLP1R, GPR119 TAS2R14 334/4885CXCR3 1587/4885PTGES 2056/4885

“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.