SCHEMBL5993797

SCHEMBL5993797

CC/C(=C/c1ccc(O)cc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 2/20 0.53
CYP3A4 P08684 2/20 0.53
CISD1 Q9NZ45 2/20 0.53
SLC16A3 O15427 1/20 0.53
HPGD P15428 1/20 0.53
SLC16A1 P53985 1/20 0.53
GPR35 Q9HC97 1/20 0.53
TBXAS1 P24557 2/20 0.52
ESR1 P03372 5/20 0.52
ESR2 Q92731 3/20 0.52
CYP2C9 P11712 1/20 0.46
EPHX2 P34913 1/20 0.45
PPARG P37231 1/20 0.45
PTGS2 P35354 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42

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
SCHEMBL10349544 1.00 ALDH1A1 (0.53) ALDH1A1KDM4ECYP3A4CISD1SLC16A3
SCHEMBL3128764 1.00 ALDH1A1 (0.53) ALDH1A1KDM4ECYP3A4CISD1SLC16A3
SCHEMBL5173409 0.92 TBXAS1 (0.58) ALDH1A1KDM4ECYP3A4CISD1SLC16A3
Biphenyl SCHEMBL28775818 0.92 ESR1 (0.50) ALDH1A1KDM4ECYP3A4CISD1SLC16A3
SCHEMBL15056885 0.85 TBXAS1 (0.52) CYP3A4TBXAS1ESR1CYP2C9EPHX2
SCHEMBL2673966 0.85 TBXAS1 (0.52) CYP3A4TBXAS1ESR1CYP2C9EPHX2
SCHEMBL2271804 0.85 TBXAS1 (0.56) ALDH1A1CYP3A4TBXAS1ESR1CYP2C9
SCHEMBL2673972 0.85 TBXAS1 (0.52) CYP3A4TBXAS1ESR1CYP2C9EPHX2
SCHEMBL57683 0.84 CYP3A4 (0.63) ALDH1A1CYP3A4TBXAS1CYP2C9EPHX2
SCHEMBL2918640 0.84 CYP3A4 (0.63) ALDH1A1CYP3A4TBXAS1CYP2C9EPHX2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10058534-B2 Benzothiophene derivatives and compositions thereof as selective estrogen receptor degraders NOVARTIS AG (CH) 2018-08-28 US disclosed
US-20180169063-A1 BENZOTHIOPHENE DERIVATIVES AND COMPOSITIONS THEREOF AS SELECTIVE ESTROGEN RECEPTOR DEGRADERS NOVARTIS AG (CH) 2018-06-21 US disclosed
US-9931317-B2 Benzothiophene derivatives and compositions thereof as selective estrogen receptor degraders NOVARTIS AG (CH) 2018-04-03 US disclosed
EP-2958907-B1 BENZOTHIOPHENE DERIVATIVES AND COMPOSITIONS THEREOF AS SELECTIVE ESTROGEN RECEPTOR DEGRADERS NOVARTIS AG (CH) 2018-02-28 EP disclosed
US-20170112805-A1 BENZOTHIOPHENE DERIVATIVES AND COMPOSITIONS THEREOF AS SELECTIVE ESTROGEN RECEPTOR DEGRADERS NOVARTIS AG (CH) 2017-04-27 US disclosed
US-9561211-B2 Benzothiophene derivatives and compositions thereof as selective estrogen receptor degraders NOVARTIS AG (CH) 2017-02-07 US disclosed
US-20160184265-A1 BENZOTHIOPHENE DERIVATIVES AND COMPOSITIONS THEREOF AS SELECTIVE ESTROGEN RECEPTOR DEGRADERS NOVARTIS AG (CH) 2016-06-30 US disclosed
US-9321746-B2 Benzothiophene derivatives and compositions thereof as selective estrogen receptor degraders NOVARTIS AG (CH) 2016-04-26 US disclosed
US-20160051529-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF NEURODEGENERATIVE AND OTHER METABOLIC DISEASES CIRIUS THERAPEUTICS, INC. 2016-02-25 US disclosed
EP-2958907-A1 BENZOTHIOPHENE DERIVATIVES AND COMPOSITIONS THEREOF AS SELECTIVE ESTROGEN RECEPTOR DEGRADERS Novartis AG (CH) 2015-12-30 EP disclosed
EP-2931274-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES Metabolic Solutions Development Company LLC (US) 2015-10-21 EP disclosed
WO-2014130310-A1 BENZOTHIOPHENE DERIVATIVES AND COMPOSITIONS THEREOF AS SELECTIVE ESTROGEN RECEPTOR DEGRADERS NOVARTIS AG (CH) 2014-08-28 WO disclosed
WO-2014093114-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES METABOLIC SOLUTIONS DEVELOPMENT COMPANY LLC (US) 2014-06-19 WO disclosed
WO-2012177956-A1 PPAR-SPARING COMPOUNDS FOR USE IN THE TREATMENT OF DIABETES AND OTHER METABOLIC DISEASES METABOLIC SOLUTIONS DEVELOPMENT COMAPNY, LLC (US) 2012-12-27 WO disclosed
US-20060173204-A1 New 3-aryl propionic acid derivatives and analogs ANDERSSON KJELL 2006-08-03 US disclosed
US-20040229949-A1 New 3-aryl propionic acid derivatives and analogs ANDERSSON KJELL (SE) 2004-11-18 US disclosed
US-6630600-B1 Intermediate for their manufacture, pharmaceutical preparations containing them and the use of the compounds in clinical conditions associated with insulin resistance. ASTRAZENECA AB (SE) 2003-10-07 US disclosed
EP-1084102-B1 NEW 3-ARYL PROPIONIC ACID DERIVATIVES AND ANALOGS ASTRAZENECA AB (SE) 2003-10-01 EP disclosed
EP-1084102-A1 NEW 3-ARYL PROPIONIC ACID DERIVATIVES AND ANALOGS AstraZeneca AB (SE) 2001-03-21 EP disclosed
WO-1999062871-A1 NEW 3-ARYL PROPIONIC ACID DERIVATIVES AND ANALOGS ASTRAZENECA AB (SE) 1999-12-09 WO 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 (7 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-20160184265-A1 BENZOTHIOPHENE DERIVATIVES AND COMPOSITIONS THEREOF AS SELECTIVE ESTROGEN RECEPTOR DEGRADERS ESR1, CYP19A1, GPER1 ALDH1A1 1187/4885KDM4E 574/4885CYP3A4 80/4885
US-20040229949-A1 New 3-aryl propionic acid derivatives and analogs GPR119, INSR, IRS1 ALDH1A1 465/4885KDM4E 3727/4885CYP3A4 299/4885
US-10058534-B2 Benzothiophene derivatives and compositions thereof as selective estrogen receptor degraders ESR1, CYP19A1, GPER1 ALDH1A1 1187/4885KDM4E 574/4885CYP3A4 80/4885
US-20170112805-A1 BENZOTHIOPHENE DERIVATIVES AND COMPOSITIONS THEREOF AS SELECTIVE ESTROGEN RECEPTOR DEGRADERS ESR1, CYP19A1, GPER1 ALDH1A1 1187/4885KDM4E 574/4885CYP3A4 80/4885
US-20160051529-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF NEURODEGENERATIVE AND OTHER METABOLIC DISEASES PPARD, PPARG, PPARA ALDH1A1 1510/4885KDM4E 2439/4885CYP3A4 685/4885
US-20060173204-A1 New 3-aryl propionic acid derivatives and analogs GPR119, INSR, IRS1 ALDH1A1 465/4885KDM4E 3727/4885CYP3A4 299/4885
US-20180169063-A1 BENZOTHIOPHENE DERIVATIVES AND COMPOSITIONS THEREOF AS SELECTIVE ESTROGEN RECEPTOR DEGRADERS ESR1, CYP19A1, GPER1 ALDH1A1 1187/4885KDM4E 574/4885CYP3A4 80/4885

“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.