SCHEMBL17856468

SCHEMBL17856468

NS(=O)(=O)c1cccc(N2CCCCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.53
CA2 P00918 8/20 0.53
HTR6 P50406 3/20 0.53
CA9 Q16790 6/20 0.52
CA12 O43570 5/20 0.52
CA4 P22748 1/20 0.52
CA14 Q9ULX7 1/20 0.52
ALDH1A1 P00352 2/20 0.50
MAPT P10636 1/20 0.50
CA7 P43166 2/20 0.49
LMNA P02545 1/20 0.49
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SCN10A Q9Y5Y9 1/20 0.46
PIK3CA P42336 1/20 0.46

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
SCHEMBL7952397 0.98 CA1 (0.55) CA1CA2HTR6CA9CA12
SCHEMBL38652751 0.98 CA1 (0.55) CA1CA2HTR6CA9CA12
SCHEMBL4617638 0.84 TSHR (0.53) CA1CA2HTR6CA9CA12
SCHEMBL30437544 0.83 PKM (0.55) CA1CA2HTR6CA9CA12
SCHEMBL12719397 0.83 HTR6 (0.70) HTR6ALDH1A1LMNAKDM4E
SCHEMBL8779983 0.83 DRD2 (0.64) HTR6ALDH1A1MAPTLMNAKDM4E
SCHEMBL16966426 0.82 CA1 (0.48) CA1CA2HTR6CA9CA12
SCHEMBL30437070 0.82 GFER (0.49) HTR6ALDH1A1MAPTLMNAKDM4E
SCHEMBL38652729 0.81 HTR6 (0.54) HTR6ALDH1A1MAPTLMNAKDM4E
Hydrochloric Acid SCHEMBL28784493 0.81 HTR6 (0.54) HTR6ALDH1A1MAPTLMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11718641-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2023-08-08 US disclosed
US-11718641-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2023-08-08 US disclosed
US-10968249-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2021-04-06 US disclosed
US-20200347092-A1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF ENANTA PHARM INC (US) 2020-11-05 US disclosed
US-10696713-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2020-06-30 US disclosed
US-20190194245-A1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF ENANTA PHARM INC (US) 2019-06-27 US disclosed
US-10208081-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2019-02-19 US disclosed
US-20160185815-A1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2016-06-30 US disclosed
US-20160185815-A1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2016-06-30 US disclosed
US-20160176917-A1 Bile Acid Derivatives as FXR/TGR5 Agonists and Methods of Use Thereof ENANTA PHARMACEUTICALS, INC. 2016-06-23 US disclosed
US-20160176917-A1 Bile Acid Derivatives as FXR/TGR5 Agonists and Methods of Use Thereof ENANTA PHARMACEUTICALS, INC. 2016-06-23 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-10696713-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof GPBAR1, NR1H4, SLC10A1 CA1 2426/4885CA2 2269/4885HTR6 1825/4885
US-10208081-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof GPBAR1, NR1H4, SLC10A1 CA1 2426/4885CA2 2269/4885HTR6 1825/4885
US-20160185815-A1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF GPBAR1, NR1H4, SLC10A1 CA1 2426/4885CA2 2269/4885HTR6 1825/4885
US-20190194245-A1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF GPBAR1, NR1H4, SLC10A1 CA1 2426/4885CA2 2269/4885HTR6 1825/4885
US-20160176917-A1 Bile Acid Derivatives as FXR/TGR5 Agonists and Methods of Use Thereof GPBAR1, NR1H4, SLC10A1 CA1 2426/4885CA2 2269/4885HTR6 1825/4885
US-11718641-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof GPBAR1, NR1H4, SLC10A1 CA1 2426/4885CA2 2269/4885HTR6 1825/4885
US-20200347092-A1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF GPBAR1, NR1H4, SLC10A1 CA1 2426/4885CA2 2269/4885HTR6 1825/4885
US-10968249-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof GPBAR1, NR1H4, SLC10A1 CA1 2426/4885CA2 2269/4885HTR6 1825/4885

“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.