SCHEMBL539759

SCHEMBL539759

CC(C)(C)OC(=O)c1ccccc1-c1ccc(C#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.46
SLC6A4 P31645 3/20 0.46
LTB4R2 Q9NPC1 1/20 0.42
SLC22A12 Q96S37 3/20 0.40
SLC6A2 P23975 1/20 0.40
ACHE P22303 1/20 0.40
BRS3 P32247 1/20 0.40
STAT3 P40763 2/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
PDK2 Q15119 1/20 0.39
GPR119 Q8TDV5 2/20 0.39
KIF11 P52732 1/20 0.39
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
PTPN1 P18031 1/20 0.39

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
SCHEMBL6897548 0.86 SLC6A3 (0.46) SLC6A3SLC6A4SLC6A2ACHEBRS3
SCHEMBL5784595 0.84 SLC6A3 (0.65) SLC6A3SLC6A4LTB4R2SLC6A2STAT3
SCHEMBL539758 0.83 PTGDR2 (0.47) SLC22A12PDK2PTPN1
SCHEMBL9531321 0.83 BCAT2 (0.52) SLC6A3SLC6A4SLC6A2SCN1ASCN2A
SCHEMBL29389473 0.83 BCAT2 (0.52) SLC6A3SLC6A4SLC6A2SCN1ASCN2A
SCHEMBL517 0.82 SLC6A3 (0.50) SLC6A3SLC6A4SLC6A2ACHEBRS3
SCHEMBL1665535 0.82 SLC6A3 (0.49) SLC6A3SLC6A4SLC6A2ACHESCN1A
SCHEMBL6900241 0.81 SLC6A3 (0.68) SLC6A3SLC6A4SLC6A2ACHEBRS3
SCHEMBL9373323 0.81 SLC6A3 (0.49) SLC6A3SLC6A4SLC6A2ACHEBRS3
Bromomethane SCHEMBL7011845 0.80 SLC6A3 (0.50) SLC6A3SLC6A4SLC6A2SCN1ASCN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9175003-B2 Substituted azoanthracene derivatives and intermediates for preparation thereof VTV THERAPEUTICS LLC (US) 2015-11-03 US disclosed
EP-2413693-B1 SUBSTITUTED AZOANTHRACENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF VTV THERAPEUTICS LLC (US) 2015-09-09 EP disclosed
US-20150148539-A1 Substituted Azoanthracene Derivatives and Intermediates for Preparation Thereof VTV THERAPEUTICS LLC 2015-05-28 US disclosed
US-8987295-B2 Substituted azoanthracene derivatives, pharmaceutical compositions, and methods of use thereof TRANSTECH PHARMA, LLC (US) 2015-03-24 US disclosed
US-20130096150-A1 Substituted Azoanthracene Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof TRANSTECH PHARMA, INC. (US) 2013-04-18 US disclosed
US-8383644-B2 Substituted azoanthracene derivatives, pharmaceutical compositions, and methods of use thereof TRANSTECH PHARMA, INC. (US) 2013-02-26 US disclosed
EP-2413693-A1 SUBSTITUTED AZOANTHRACENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF TransTech Pharma, Inc (US) 2012-02-08 EP disclosed
US-20110160198-A1 SUBSTITUTED AZOANTHRACENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF HIGH POINT PHARMACEUTICALS, LLC (US) 2011-06-30 US disclosed
WO-2010114824-A1 SUBSTITUTED AZOANTHRACENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF TRANSTECH PHARMA INC (US) 2010-10-07 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 (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-20130096150-A1 Substituted Azoanthracene Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof GLP1R, GIPR, GPR119 SLC6A3 2345/4885SLC6A4 2194/4885LTB4R2 587/4885
US-20110160198-A1 SUBSTITUTED AZOANTHRACENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF GLP1R, GIPR, GPR119 SLC6A3 2345/4885SLC6A4 2194/4885LTB4R2 587/4885
US-20150148539-A1 Substituted Azoanthracene Derivatives and Intermediates for Preparation Thereof GLP1R, GIPR, GPR119 SLC6A3 3703/4885SLC6A4 3405/4885LTB4R2 672/4885

“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.