SCHEMBL539481

SCHEMBL539481

COC(=O)[C@@H](N)Cc1ccc(-c2cccc(C)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.52
PPARA Q07869 1/20 0.52
MME P08473 1/20 0.51
POLB P06746 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HDAC1 Q13547 4/20 0.44
HDAC6 Q9UBN7 4/20 0.44
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
SRR Q9GZT4 1/20 0.43
PSAT1 Q9Y617 1/20 0.43
HSD17B2 P37059 2/20 0.43
NR1H4 Q96RI1 1/20 0.43
HSD17B1 P14061 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43
F2 P00734 1/20 0.43
F10 P00742 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43

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
Hydrochloric Acid SCHEMBL539480 0.99 PPARG (0.51) PPARGPPARAMMEPOLBALDH1A1
Hydrochloric Acid SCHEMBL539482 0.99 PPARG (0.51) PPARGPPARAMMEPOLBALDH1A1
SCHEMBL3999758 0.86 GRIA2 (0.57) ALDH1A1HDAC1HDAC6HSD17B2HSD17B1
SCHEMBL5927515 0.86 GRIA2 (0.57) ALDH1A1HDAC1HDAC6HSD17B2HSD17B1
SCHEMBL8580291 0.86 LTA4H (0.55) PPARGPPARAMMEPOLBHDAC1
SCHEMBL539210 0.86 TPH1 (0.48) PPARGPPARAALDH1A1HDAC1HDAC6
SCHEMBL539211 0.86 TPH1 (0.48) PPARGPPARAALDH1A1HDAC1HDAC6
SCHEMBL539324 0.86 SRR (0.54) PPARGPPARAALDH1A1HDAC1HDAC6
SCHEMBL539325 0.86 SRR (0.54) PPARGPPARAALDH1A1HDAC1HDAC6
SCHEMBL7451018 0.86 SRR (0.54) PPARGPPARAALDH1A1HDAC1HDAC6

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 PPARG 178/4885PPARA 321/4885MME 2623/4885
US-20110160198-A1 SUBSTITUTED AZOANTHRACENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF GLP1R, GIPR, GPR119 PPARG 178/4885PPARA 321/4885MME 2623/4885
US-20150148539-A1 Substituted Azoanthracene Derivatives and Intermediates for Preparation Thereof GLP1R, GIPR, GPR119 PPARG 42/4885PPARA 101/4885MME 3373/4885

“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.