SCHEMBL1349983

SCHEMBL1349983

CCOC(=O)C(C)(C)Oc1ccc(CCBr)cc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.64
ABCB11 O95342 1/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
TSHR P16473 1/20 0.64
HTR2A P28223 1/20 0.64
PMP22 Q01453 1/20 0.64
FBP1 P09467 7/20 0.52
PPARG P37231 5/20 0.51
OPRK1 P41145 1/20 0.48
PPARD Q03181 1/20 0.41

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
SCHEMBL3900554 0.88 PPARA (0.68) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL3341525 0.87 PPARA (0.68) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL1550078 0.85 PPARA (0.64) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL13763797 0.84 PPARA (0.71) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL3286612 0.84 PPARA (0.69) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL3484747 0.84 PPARA (0.62) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL3483913 0.84 PPARA (0.62) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL3484814 0.83 PPARA (0.73) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL3291229 0.83 PPARA (0.69) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL23582383 0.83 PPARA (0.61) PPARAABCB11CYP1A2CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2759540-A2 Beta-3 receptor ligands and their use in therapy Universita' Degli Studi di Bari (IT) 2014-07-30 EP disclosed
US-8354412-B2 Beta-3 receptor ligands and their use in therapy UNIVERSITA' DEGLI STUDI DI BARI (IT) 2013-01-15 US disclosed
US-20110288104-A1 Beta-3 receptor ligands and their use in therapy UNIVERSITA' DEGLI STUDI DI BARI (IT) 2011-11-24 US disclosed
US-8017613-B2 Beta-3 receptor ligands and their use in therapy UNIVERSITA' DEGLI STUDI DI BARI (IT) 2011-09-13 US disclosed
US-20100075977-A1 BETA-3 RECEPTOR LIGANDS AND THEIR USE IN THERAPY UNVERSITA' DEGLI STUDI DI BARI (IT) 2010-03-25 US disclosed
US-20100004159-A1 SUBSTITUTED IMIDAZOLONE DERIVATIVES, PREPARATIONS AND USES GENFIT (FR) 2010-01-07 US disclosed
US-20100004159-A1 SUBSTITUTED IMIDAZOLONE DERIVATIVES, PREPARATIONS AND USES GENFIT (FR) 2010-01-07 US disclosed
US-20100004159-A1 SUBSTITUTED IMIDAZOLONE DERIVATIVES, PREPARATIONS AND USES GENFIT (FR) 2010-01-07 US disclosed
EP-2046722-A2 BETA-3 RECEPTOR LIGANDS AND THEIR USE IN THERAPY Universita' Degli Studi di Bari (IT) 2009-04-15 EP disclosed
WO-2008015558-A2 BETA-3 RECEPTOR LIGANDS AND THEIR USE IN THERAPY UNIVERSITA' DEGLI STUDI DI BARI (IT) 2008-02-07 WO disclosed
WO-2008012470-A2 SUBSTITUTED IMIDAZOLONE DERIVATIVES, PREPARATION AND USES GENFIT (FR) 2008-01-31 WO disclosed
US-6790865-B2 2-HYDROXY-2-(4-HYDROXYPHENYL)-1-METHYLETHYL)AMINO)ETHYL)PHENOXY OR IMINO)-2-METHYLPROPIONIC ACID DERIVATIVE EXCELLENT BETA 3-ADRENOCEPTOR STIMULANTS KISSEI PHARMACEUTICAL CO., LTD. (JP) 2004-09-14 US disclosed
EP-1072583-B1 2-METHYLPROPIONIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME KISSEI PHARMACEUTICAL (JP) 2004-09-01 EP disclosed
US-6696489-B1 PHENOLIC AND PHENYLAMINO SUBSTITUENTS; BETA 3-ADRENOCEPTOR AGONISTS; OBESITY, HYPERGLYCEMIA, INTESTINAL HYPERMOTILITY, POLLAKIURIA, URINARY INCONTINENCE, DEPRESSION KISSEI PHARMACEUTICAL CO., LTD. (JP) 2004-02-24 US disclosed
US-20030166719-A1 2-hydroxy-2-(4-hydroxyphenyl)-1-methylethyl)amino)ethyl)phenoxy or imino)-2-methylpropionic acid derivative excellent beta 3-adrenoceptor stimulants KISSEI PHARMACEUTICAL CO., LTD. 2003-09-04 US disclosed
EP-1072583-A1 2-METHYLPROPIONIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Kissei Pharmaceutical Co., Ltd. (JP) 2001-01-31 EP disclosed
US-5627205-A ANTILIPEMIC AGENTS AND ANTIOXIDANTS ADIR ET COMPAGNIE (FR) 1997-05-06 US disclosed
US-5512595-A FOR SUPPRESSION OF MEMBRANE LIPID PEROXIDATION, ANTILIPEMIC AGENTS ADIR ET COMPAGNIE (FR) 1996-04-30 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 (4 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-20100075977-A1 BETA-3 RECEPTOR LIGANDS AND THEIR USE IN THERAPY ADRB3, ADRB2, ADRB1 PPARA 507/4885ABCB11 1891/4885CYP1A2 1985/4885
US-20110288104-A1 Beta-3 receptor ligands and their use in therapy ADRB3, ADRB2, ADRB1 PPARA 507/4885ABCB11 1891/4885CYP1A2 1985/4885
US-20100004159-A1 SUBSTITUTED IMIDAZOLONE DERIVATIVES, PREPARATIONS AND USES IPO5, PPIP5K2, IPO4 PPARA 1045/4885ABCB11 402/4885CYP1A2 45/4885
US-20030166719-A1 2-hydroxy-2-(4-hydroxyphenyl)-1-methylethyl)amino)ethyl)phenoxy or imino)-2-methylpropionic acid derivative excellent beta 3-adrenoceptor stimulants ADRB1, ADRB2, ADRA2A PPARA 323/4885ABCB11 512/4885CYP1A2 554/4885

“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.