E-Guggulsterone

E-Guggulsterone

SCHEMBL177786

CC=C1C(=O)C[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 1.00
HSD17B10 Q99714 6/20 1.00
ALDH1A1 P00352 5/20 1.00
NR3C1 P04150 5/20 1.00
PGR P06401 5/20 1.00
CYP3A4 P08684 5/20 1.00
TSHR P16473 5/20 1.00
AR P10275 4/20 1.00
MAPK1 P28482 4/20 1.00
MAPT P10636 3/20 1.00
BLM P54132 3/20 1.00
PMP22 Q01453 3/20 1.00
NPSR1 Q6W5P4 3/20 1.00
NR1I2 O75469 2/20 1.00
NR3C2 P08235 2/20 1.00
NR1H4 Q96RI1 2/20 1.00
HIF1A Q16665 2/20 1.00
CYP2C9 P11712 2/20 1.00
CYP2C19 P33261 2/20 1.00
ESR1 P03372 1/20 1.00

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
E-Guggulsterone SCHEMBL177528 1.00 SMN1; SMN2 (1.00) SMN1; SMN2HSD17B10ALDH1A1NR3C1PGR
E-Guggulsterone SCHEMBL7860363 1.00 SMN1; SMN2 (1.00) SMN1; SMN2HSD17B10ALDH1A1NR3C1PGR
E-Guggulsterone SCHEMBL14193742 1.00 SMN1; SMN2 (1.00) SMN1; SMN2HSD17B10ALDH1A1NR3C1PGR
E-Guggulsterone SCHEMBL1650063 1.00 SMN1; SMN2 (1.00) SMN1; SMN2HSD17B10ALDH1A1NR3C1PGR
E-Guggulsterone SCHEMBL12153588 1.00 SMN1; SMN2 (1.00) SMN1; SMN2HSD17B10ALDH1A1NR3C1PGR
E-Guggulsterone SCHEMBL13304392 1.00 SMN1; SMN2 (1.00) SMN1; SMN2HSD17B10ALDH1A1NR3C1PGR
E-Guggulsterone SCHEMBL13327483 1.00 SMN1; SMN2 (1.00) SMN1; SMN2HSD17B10ALDH1A1NR3C1PGR
E-Guggulsterone SCHEMBL12858540 1.00 SMN1; SMN2 (1.00) SMN1; SMN2HSD17B10ALDH1A1NR3C1PGR
E-Guggulsterone SCHEMBL258031 1.00 SMN1; SMN2 (1.00) SMN1; SMN2HSD17B10ALDH1A1NR3C1PGR
Guggulsterone SCHEMBL141657 1.00 SMN1; SMN2 (1.00) SMN1; SMN2HSD17B10ALDH1A1NR3C1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8647643-B2 Farnesoid-X-receptor antagonist as a vaccine adjuvant CADILA PHARMACEUTICALS, LTD (IN) 2014-02-11 US claimed
US-20110182939-A1 Vaccine Adjuvants CADILA PHARMACEUTICALS LTD. (IN) 2011-07-28 US claimed
EP-2337847-A2 VACCINE ADJUVANTS Cadila Pharmaceuticals Ltd. (IN) 2011-06-29 EP claimed
US-20100172870-A1 METHODS, USES AND COMPOSITIONS FOR MODULATING REPLICATION OF HCV THROUGH THE FARNESOID X RECEPTOR (FXR) ACTIVATION OR INHIBITION INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2010-07-08 US claimed
WO-2010035119-A2 VACCINE ADJUVANTS CADILA PHARMACEUTICALS LTD. (IN) 2010-04-01 WO claimed
EP-1886685-A1 Methods, uses and compositions for modulating replication of hcv through the farnesoid x receptor (fxr) activation or inhibition INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2008-02-13 EP claimed
EP-2337847-B1 VACCINE ADJUVANTS CADILA PHARMACEUTICALS LTD (IN) 2015-12-02 EP disclosed
US-8647643-B2 Farnesoid-X-receptor antagonist as a vaccine adjuvant CADILA PHARMACEUTICALS, LTD (IN) 2014-02-11 US disclosed
EP-2399575-A2 Methods, uses and compositions for treatment of an infection by a virus of the family of flaviviridae through the farnesoid X receptor (FXR) inhibition INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2011-12-28 EP disclosed
EP-2399988-A2 Cell culture system for replication of HCV through the farnesoid X receptor (FXR) activation or inhibition and diagnostic method for HCV infection INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2011-12-28 EP disclosed
US-20110182939-A1 Vaccine Adjuvants CADILA PHARMACEUTICALS LTD. (IN) 2011-07-28 US disclosed
EP-2337847-A2 VACCINE ADJUVANTS Cadila Pharmaceuticals Ltd. (IN) 2011-06-29 EP disclosed
US-20100172870-A1 METHODS, USES AND COMPOSITIONS FOR MODULATING REPLICATION OF HCV THROUGH THE FARNESOID X RECEPTOR (FXR) ACTIVATION OR INHIBITION INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2010-07-08 US disclosed
WO-2010035119-A2 VACCINE ADJUVANTS CADILA PHARMACEUTICALS LTD. (IN) 2010-04-01 WO disclosed
EP-2054065-A2 METHODS, USES AND COMPOSITIONS FOR MODULATING REPLICATION OF HCV THROUGH THE FARNESOID X RECEPTOR (FXR) ACTIVATION OR INHIBITION INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2009-05-06 EP disclosed
WO-2008017692-A2 METHODS, USES AND COMPOSITIONS FOR MODULATING REPLICATION OF HCV THROUGH THE FARNESOID X RECEPTOR (FXR) ACTIVATION OR INHIBITION INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2008-02-14 WO disclosed
EP-1886685-A1 Methods, uses and compositions for modulating replication of hcv through the farnesoid x receptor (fxr) activation or inhibition INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2008-02-13 EP disclosed
US-20050085452-A1 Process for the synthesis of pharmacologically active (z/e)-guggulsterones LAILA IMPEX (IN) 2005-04-21 US disclosed
US-20050085452-A1 Process for the synthesis of pharmacologically active (z/e)-guggulsterones LAILA IMPEX (IN) 2005-04-21 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 (3 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-20050085452-A1 Process for the synthesis of pharmacologically active (z/e)-guggulsterones CYP17A1, CYP11B1, HSD17B7 SMN1; SMN2 4563/4885HSD17B10 51/4885ALDH1A1 626/4885
US-20110182939-A1 Vaccine Adjuvants FXR2, FXR1, NR1H4 SMN1; SMN2 4846/4885HSD17B10 974/4885ALDH1A1 4615/4885
US-20100172870-A1 METHODS, USES AND COMPOSITIONS FOR MODULATING REPLICATION OF HCV THROUGH THE FARNESOID X RECEPTOR (FXR) ACTIVATION OR INHIBITION FXR1, FXR2, NR1H4 SMN1; SMN2 4801/4885HSD17B10 457/4885ALDH1A1 4283/4885

“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.