SCHEMBL7970526

SCHEMBL7970526

Cc1nc(-c2ccc(C(C)C)cc2)cs1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.57
RAB9A P51151 6/20 0.54
KDM4E B2RXH2 2/20 0.54
POLB P06746 2/20 0.54
HTT P42858 1/20 0.54
ALDH1A1 P00352 5/20 0.53
HPGD P15428 2/20 0.53
RECQL P46063 2/20 0.53
MAPT P10636 2/20 0.53
ESR2 Q92731 1/20 0.53
NPC1 O15118 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
GFER P55789 1/20 0.50
HSD17B10 Q99714 1/20 0.47
TSHR P16473 1/20 0.47
PKM P14618 1/20 0.47
ROCK2 O75116 1/20 0.46
PIM1 P11309 1/20 0.46
GSK3B P49841 1/20 0.46
AURKB Q96GD4 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
SCHEMBL21003594 0.83 GAA (0.51) GAARAB9AKDM4EPOLBHTT
SCHEMBL22824711 0.81 MAPT (0.45) GAARAB9AKDM4EPOLBALDH1A1
SCHEMBL1799856 0.81 ALDH1A1 (0.59) RAB9AKDM4EPOLBALDH1A1HPGD
SCHEMBL225793 0.81 RECQL (0.64) GAARAB9AKDM4EPOLBHTT
SCHEMBL2405184 0.81 RAB9A (0.71) GAARAB9AKDM4EPOLBHTT
SCHEMBL22824875 0.81 MAPT (0.42) GAARAB9AKDM4EPOLBHTT
SCHEMBL2615402 0.80 GAA (0.65) GAARAB9AKDM4EPOLBHTT
SCHEMBL14041787 0.80 RECQL (0.62) GAARAB9AKDM4EPOLBHTT
SCHEMBL22824829 0.78 MAPT (0.41) GAARAB9AKDM4EPOLBHTT
SCHEMBL14446355 0.77 GAA (0.53) GAARAB9AKDM4EPOLBHTT

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 13 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
WO-2023083343-A1 POLYCYCLIC COMPOUNDS AND METHODS THEREOF HEPAITECH (BEIJING) BIOPHARMA TECHNOLOGY CO., LTD. (CN) 2023-05-19 WO 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-20170240585-A1 DEUTERATED BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2017-08-24 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-20160145296-A1 BILE ACID ANALOGS AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2016-05-26 US disclosed
WO-2009144450-A1 TETRAHYDROFURO [3, 2-B] PYRROL-3-ONE DERIVATIVES AS INHIBITORS OF CYSTEINE PROTEASES AMURA THERAPEUTICS LIMITED (GB) 2009-12-03 WO disclosed
US-20090087409-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-04-02 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 (10 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-20090087409-A1 Viral Polymerase Inhibitors NR2C2, NR4A1, MED25 GAA 4359/4885RAB9A 3802/4885KDM4E 3438/4885
US-10696713-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof GPBAR1, NR1H4, SLC10A1 GAA 768/4885RAB9A 1748/4885KDM4E 4494/4885
US-20160185815-A1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF GPBAR1, NR1H4, SLC10A1 GAA 768/4885RAB9A 1748/4885KDM4E 4494/4885
US-20170240585-A1 DEUTERATED BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF NR1H4, GPBAR1, SLC10A1 GAA 1028/4885RAB9A 1729/4885KDM4E 4293/4885
US-20190194245-A1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF GPBAR1, NR1H4, SLC10A1 GAA 768/4885RAB9A 1748/4885KDM4E 4494/4885
US-20160176917-A1 Bile Acid Derivatives as FXR/TGR5 Agonists and Methods of Use Thereof GPBAR1, NR1H4, SLC10A1 GAA 768/4885RAB9A 1748/4885KDM4E 4494/4885
US-11718641-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof GPBAR1, NR1H4, SLC10A1 GAA 768/4885RAB9A 1748/4885KDM4E 4494/4885
US-20200347092-A1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF GPBAR1, NR1H4, SLC10A1 GAA 768/4885RAB9A 1748/4885KDM4E 4494/4885
US-10968249-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof GPBAR1, NR1H4, SLC10A1 GAA 768/4885RAB9A 1748/4885KDM4E 4494/4885
US-20160145296-A1 BILE ACID ANALOGS AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF GPBAR1, NR1H4, SLC10A1 GAA 1210/4885RAB9A 604/4885KDM4E 4340/4885

“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.