SCHEMBL593585

SCHEMBL593585

C[C@H](C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 11/20 1.00
NR1H4 Q96RI1 2/20 0.75
CASP7 P55210 3/20 0.73
EPHA2 P29317 3/20 0.73
TP53 P04637 2/20 0.73
MAPK1 P28482 2/20 0.73
HSD17B10 Q99714 2/20 0.73
BLM P54132 2/20 0.73
TDP1 Q9NUW8 2/20 0.73
VDR P11473 2/20 0.73
HIF1A Q16665 2/20 0.73
USP2 O75604 2/20 0.73
MDM4 O15151 1/20 0.73
CYP3A4 P08684 1/20 0.73
MAPT P10636 1/20 0.73
HSPD1 P10809 1/20 0.73
TSHR P16473 1/20 0.73
PTPN2 P17706 1/20 0.73
PTPN1 P18031 1/20 0.73
BRCA1 P38398 1/20 0.73

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
SCHEMBL592954 1.00 GPBAR1 (1.00) GPBAR1NR1H4CASP7EPHA2TP53
SCHEMBL15896184 1.00 GPBAR1 (1.00) GPBAR1NR1H4CASP7EPHA2TP53
SCHEMBL22192109 1.00 GPBAR1 (1.00) GPBAR1NR1H4CASP7EPHA2TP53
SCHEMBL20065894 1.00 GPBAR1 (1.00) GPBAR1NR1H4CASP7EPHA2TP53
SCHEMBL592955 1.00 GPBAR1 (1.00) GPBAR1NR1H4CASP7EPHA2TP53
SCHEMBL15893422 0.91 GPBAR1 (0.84) GPBAR1NR1H4CASP7EPHA2TP53
SCHEMBL20065876 0.91 GPBAR1 (0.84) GPBAR1NR1H4CASP7EPHA2TP53
SCHEMBL1688733 0.88 GPBAR1 (0.79) GPBAR1NR1H4CASP7EPHA2TP53
SCHEMBL26600064 0.88 GPBAR1 (0.79) GPBAR1NR1H4CASP7EPHA2TP53
SCHEMBL26600059 0.88 GPBAR1 (0.79) GPBAR1NR1H4CASP7EPHA2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2698375-B1 TGR5 modulators and method of use thereof INTERCEPT PHARMACEUTICALS INC (US) 2018-02-21 EP disclosed
US-20180016295-A1 TGR5 Modulators and Methods of Use Thereof INTERCEPT PHARMACEUTICALS INC (US) 2018-01-18 US disclosed
US-9650409-B2 TGR5 modulators and methods of use thereof INTERCEPT PHARMACEUTICALS, INC. (US) 2017-05-16 US disclosed
US-20160096862-A1 TGR5 Modulators and Methods of Use Thereof INTERCEPT PHARMACEUTICALS INC (US) 2016-04-07 US disclosed
US-9243027-B2 TGR5 modulators and methods of use thereof INTERCEPT PHARMACEUTICALS, INC. (US) 2016-01-26 US disclosed
US-20140100209-A1 TGR5 Modulators and Methods of Use Thereof INTERCEPT PHARMACEUTICALS, INC. (US) 2014-04-10 US disclosed
EP-2698375-A2 TGR5 modulators and method of use thereof Intercept Pharmaceuticals, Inc. (US) 2014-02-19 EP disclosed
EP-2376519-B1 TGR5 MODULATORS AND METHOD OF USE THEREOF INTERCEPT PHARMACEUTICALS INC (US) 2013-11-13 EP disclosed
EP-2112995-B1 23-SUBSTITUTED BILE ACIDS AS TGR5 MODULATORS AND METHODS OF USE THEREOF INTERCEPT PHARMACEUTICALS INC (US) 2013-07-31 EP disclosed
US-8445472-B2 TGR5 modulators and methods of use thereof INTERCEPT PHARMACEUTICALS, INC. (US) 2013-05-21 US disclosed
US-8410083-B2 23-substituted bile acids as TGR5 modulators and methods of use thereof INTERCEPT PHARMACEUTICALS, INC. (US) 2013-04-02 US disclosed
US-20120115832-A1 TGR5 Modulators and Methods of Use Thereof INTERCEPT PHARMACEUTICALS, INC. (US) 2012-05-10 US disclosed
US-8114862-B2 TGR5 modulators and methods of use thereof INTERCEPT PHARMACEUTICALS, INC. (US) 2012-02-14 US disclosed
US-20110003782-A1 23-Substituted Bile Acids as TGR5 Modulators and Methods of Use Thereof INTERCEPT PHARMACEUTICALS, INC. 2011-01-06 US disclosed
US-20100152151-A1 TGR5 MODULATORS AND METHODS OF USE THEROF INTERCEPT PHARMACEUTICALS, INC. (US) 2010-06-17 US disclosed
EP-1947108-A1 TGR5 modulators and methods of use thereof Intercept Pharmaceuticals, Inc. (US) 2008-07-23 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 (6 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-20120115832-A1 TGR5 Modulators and Methods of Use Thereof GPBAR1, SLC10A1, SLC5A1 GPBAR1 1/4885NR1H4 23/4885CASP7 1702/4885
US-20110003782-A1 23-Substituted Bile Acids as TGR5 Modulators and Methods of Use Thereof GPBAR1, NR1H4, SLC10A1 GPBAR1 1/4885NR1H4 2/4885CASP7 470/4885
US-20160096862-A1 TGR5 Modulators and Methods of Use Thereof GPBAR1, NR1H4, GPR119 GPBAR1 1/4885NR1H4 2/4885CASP7 716/4885
US-20100152151-A1 TGR5 MODULATORS AND METHODS OF USE THEROF SLC10A1, GPBAR1, SLC5A1 GPBAR1 2/4885NR1H4 18/4885CASP7 1496/4885
US-20180016295-A1 TGR5 Modulators and Methods of Use Thereof GPBAR1, SLC10A1, SLC5A1 GPBAR1 1/4885NR1H4 23/4885CASP7 1702/4885
US-20140100209-A1 TGR5 Modulators and Methods of Use Thereof GPBAR1, SLC10A1, SLC5A1 GPBAR1 1/4885NR1H4 23/4885CASP7 1702/4885

“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.