SCHEMBL2053

SCHEMBL2053

CC(=O)OC(Cc1ccccc1)C(C)=O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SRR Q9GZT4 2/20 0.53
PPARG P37231 11/20 0.50
PPARA Q07869 10/20 0.50
ACE P12821 1/20 0.49
ALDH1A1 P00352 1/20 0.48
ALPI P09923 1/20 0.48
PKM P14618 1/20 0.48
PTGS1 P23219 1/20 0.48
XIAP P98170 1/20 0.48
SLC7A5 Q01650 1/20 0.48
CYP1A2 P05177 1/20 0.47
CTRB1 P17538 1/20 0.46

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
SCHEMBL1486321 0.89 SRR (0.62) SRRPPARGPPARAACEALPI
SCHEMBL1486323 0.89 SRR (0.62) SRRPPARGPPARAACEALPI
SCHEMBL2626716 0.89 SRR (0.62) SRRPPARGPPARAACEALPI
SCHEMBL29156974 0.86 SRR (0.54) SRRPPARGPPARAACEALDH1A1
SCHEMBL3712940 0.86 PPARG (0.51) SRRPPARGPPARAACEALDH1A1
SCHEMBL5355644 0.86 SRR (0.50) SRRPPARGPPARAACEALDH1A1
SCHEMBL5349209 0.86 SRR (0.50) SRRPPARGPPARAACEALDH1A1
SCHEMBL5349207 0.86 SRR (0.50) SRRPPARGPPARAACEALDH1A1
SCHEMBL12141661 0.83 SRR (0.58) SRRPPARGPPARAALPIPKM
SCHEMBL8091095 0.83 SRR (0.58) SRRPPARGPPARAALPIPKM

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
US-9624182-B2 Compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
EP-2483252-B1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2017-03-08 EP disclosed
CN-102666504-B Compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2016-06-01 CN disclosed
US-20150329502-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2015-11-19 US disclosed
US-9090573-B2 Compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-20120289522-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. 2012-11-15 US disclosed
CN-102666504-A Compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS INC 2012-09-12 CN disclosed
CN-102639515-A Compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS INC 2012-08-15 CN disclosed
EP-2483253-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
US-8217066-B2 Compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2012-07-10 US disclosed
WO-2011041729-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed
US-20110082181-A1 Compounds as Lysophosphatidic Acid Receptor Antagonists Amira Phamaceuticals, Inc. (US) 2011-04-07 US disclosed
US-7176229-B2 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION (US) 2007-02-13 US disclosed
EP-1358144-B1 EPOTHILONE SYNTHESIS COMPONENTS I: ASYMMETRICALLY SUBSTITUTED ACYLOINS AND ACYLOIN DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND METHOD FOR THE PRODUCTION OF EPITHILONE AND EPOTHILONE DERIVATIVES R & D BIOPHARMACEUTICALS (DE) 2006-12-27 EP disclosed
US-6867333-B2 EPOTHILONE SYNTHESIS BUILDING BLOCKS III AND IV: ASYMMETRICALLY SUBSTITUTED ACYLOINS AND ACYLOIN DERIVATIVES, METHODS FOR THEIR PRODUCTION AND METHODS FOR THE PRODUCTION OF EPOTHILONES B, D AND EPOTHILONE DERIVATIVES MORPHOCHEM AG (DE) 2005-03-15 US disclosed
US-20040082651-A1 Epothilone synthesis building blocks III and IV: asymmetrically substituted acyloins and acyloin derivatives, methods for their production and methods for the production of epothilones B, D and epothilone derivatives R & D BIOPHARMACEUTICALS GMBH (DE) 2004-04-29 US disclosed
EP-1358144-A1 EPOTHILONE SYNTHESIS COMPONENTS III AND IV: ASYMMETRICALLY SUBSTITUTED ACYLOINS AND ACYLOIN DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND METHOD FOR THE PRODUCTION OF EPITHILONE B, D AND EPOTHILONE DERIVATIVES Morphochem AG (DE) 2003-11-05 EP disclosed
WO-2002032844-A2 EPOTHILONE SYNTHESIS COMPONENTS III AND IV: ASYMMETRICALLY SUBSTITUTED ACYLOINS AND ACYLOIN DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND METHOD FOR THE PRODUCTION OF EPITHILONE B, D AND EPOTHILONE DERIVATIVES MORPHOCHEM AG (DE) 2002-04-25 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 (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-20120289522-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 SRR 483/4885PPARG 210/4885PPARA 129/4885
US-20150329502-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 SRR 483/4885PPARG 210/4885PPARA 129/4885
US-20110082181-A1 Compounds as Lysophosphatidic Acid Receptor Antagonists LPAR1, LPAR2, LPAR4 SRR 483/4885PPARG 210/4885PPARA 129/4885
US-20040082651-A1 Epothilone synthesis building blocks III and IV: asymmetrically substituted acyloins and acyloin derivatives, methods for their production and methods for the production of epothilones B, D and epothilone derivatives COASY, ACOX1, FDFT1 SRR 1584/4885PPARG 1490/4885PPARA 1042/4885

“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.