SCHEMBL15918366

SCHEMBL15918366

C=C(C(=O)OCC)C(OC(C)=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.46
CASP1 P29466 1/20 0.39
PPARG P37231 3/20 0.38
PPARA Q07869 1/20 0.38
GPR35 Q9HC97 1/20 0.38
POLB P06746 2/20 0.38
FFAR1 O14842 2/20 0.37
KMT2A Q03164 2/20 0.37
EPHX2 P34913 1/20 0.37
MAPT P10636 3/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
HSP90AA1 P07900 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
XPO1 O14980 1/20 0.36
GAA P10253 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL15918058 0.86 MAPT (0.44) NPSR1CASP1KMT2AMAPTKDM4E
SCHEMBL15917339 0.86 CASP1 (0.42) CASP1POLBKMT2AMAPTMEN1
SCHEMBL15917572 0.85 CASP1 (0.44) CASP1KMT2AMAPTKDM4EMEN1
SCHEMBL15918247 0.84 CASP1 (0.40) CASP1PPARGPPARAPOLBMAPT
SCHEMBL15918420 0.84 CASP1 (0.46) CASP1PPARAPOLBKMT2AMAPT
SCHEMBL15916968 0.84 MEN1 (0.44) NPSR1CASP1KMT2AMAPTKDM4E
SCHEMBL4013821 0.83 ALDH1A1 (0.53) CASP1KMT2AMAPTMEN1GAA
SCHEMBL29019486 0.83 ALDH1A1 (0.42) PPARGPPARAFFAR1KDM4ECES2
SCHEMBL15918203 0.83 ALOX15 (0.41) NPSR1CASP1KMT2AMAPTCES2
SCHEMBL28179798 0.82 CASP1 (0.39) CASP1GPR35KMT2AMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9562045-B2 Process for preparation of indolizine based derivatives as potential phosphodiestrase 3 (PDE3) inhibitors COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-02-07 US disclosed
US-9505760-B2 Pyridopyrimidine based derivatives as potential phosphodiesterase 3 (PDE3) inhibitors and a process for the preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-11-29 US disclosed
US-20160194319-A1 PYRIDOPYRIMIDINE BASED DERIVATIVES AS POTENTIAL PHOSPHODIESTERASE 3 (PDE3) INHIBITORS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2016-07-07 US disclosed
US-20160159792-A1 PROCESS FOR PREPARATION OF INDOLIZINE BASED DERIVATIVES AS POTENTIAL PHOSPHODIESTRASE 3 (PDE3) INHIBITORS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-06-09 US disclosed
US-9249139-B2 Indolizinone based derivatives as potential phosphodiesterase 3 (PDE3) inhibitors and a process for the preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-02-02 US disclosed
US-9242982-B2 Pyridopyrimidine based derivatives as potential phosphodiesterase 3 (PDE3) inhibitors and a process for the preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-01-26 US disclosed
US-20140296530-A1 INDOLIZINONE BASED DERIVATIVES AS POTENTIAL PHOSPHODIESTERASE 3 (PDE3) INHIBITORS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-10-02 US disclosed
US-20140221651-A1 PYRIDOPYRIMIDINE BASED DERIVATIVES AS POTENTIAL PHOSPHODIESTERASE 3 (PDE3) INHIBITORS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-08-07 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-20140296530-A1 INDOLIZINONE BASED DERIVATIVES AS POTENTIAL PHOSPHODIESTERASE 3 (PDE3) INHIBITORS AND A PROCESS FOR THE PREPARATION THEREOF PDE3A, PDE3B, PDE5A NPSR1 4021/4885CASP1 2411/4885PPARG 1463/4885
US-20140221651-A1 PYRIDOPYRIMIDINE BASED DERIVATIVES AS POTENTIAL PHOSPHODIESTERASE 3 (PDE3) INHIBITORS AND A PROCESS FOR THE PREPARATION THEREOF PDE3A, PDE3B, PDE5A NPSR1 4201/4885CASP1 1428/4885PPARG 774/4885
US-20160194319-A1 PYRIDOPYRIMIDINE BASED DERIVATIVES AS POTENTIAL PHOSPHODIESTERASE 3 (PDE3) INHIBITORS AND A PROCESS FOR THE PREPARATION THEREOF PDE3A, PDE3B, PDE5A NPSR1 3887/4885CASP1 1699/4885PPARG 2556/4885
US-20160159792-A1 PROCESS FOR PREPARATION OF INDOLIZINE BASED DERIVATIVES AS POTENTIAL PHOSPHODIESTRASE 3 (PDE3) INHIBITORS PDE3A, PDE5A, PDE3B NPSR1 3743/4885CASP1 1741/4885PPARG 3023/4885

“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.