SCHEMBL15917982

SCHEMBL15917982

C=C(C(=O)OCC)C(O)c1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.61
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
GAA P10253 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
ABCB11 O95342 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
HTR2A P28223 1/20 0.41
PMP22 Q01453 1/20 0.41
PPARA Q07869 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
HPGD P15428 1/20 0.40
MAPT P10636 2/20 0.40

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
SCHEMBL15917648 0.89 CASP1 (0.58) CASP1ALDH1A1SMN1; SMN2GAAKMT2A
SCHEMBL15918134 0.87 CASP1 (0.56) CASP1ALDH1A1SMN1; SMN2GAAKMT2A
SCHEMBL15918195 0.84 CASP1 (0.54) CASP1ALDH1A1GAATDP1KMT2A
SCHEMBL15917817 0.84 CASP1 (0.54) CASP1ALDH1A1SMN1; SMN2TDP1KMT2A
SCHEMBL15918524 0.84 CASP1 (0.54) CASP1ALDH1A1GAATDP1KMT2A
SCHEMBL5245988 0.84 CASP1 (0.64) CASP1ALDH1A1SMN1; SMN2GAAKMT2A
SCHEMBL15918701 0.83 CASP1 (0.52) CASP1ALDH1A1KMT2ACA1CA2
SCHEMBL15918132 0.82 CASP1 (0.59) CASP1GAAHPGDMAPTKYAT1
SCHEMBL20048220 0.82 HPGD (0.43) CASP1ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL15917904 0.82 CASP1 (0.51) CASP1GAAKMT2AMEN1CYP3A4

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 11 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 claimed
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 claimed
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 claimed
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 CASP1 2411/4885ALDH1A1 330/4885SMN1; SMN2 2223/4885
US-20140221651-A1 PYRIDOPYRIMIDINE BASED DERIVATIVES AS POTENTIAL PHOSPHODIESTERASE 3 (PDE3) INHIBITORS AND A PROCESS FOR THE PREPARATION THEREOF PDE3A, PDE3B, PDE5A CASP1 1428/4885ALDH1A1 225/4885SMN1; SMN2 2679/4885
US-20160194319-A1 PYRIDOPYRIMIDINE BASED DERIVATIVES AS POTENTIAL PHOSPHODIESTERASE 3 (PDE3) INHIBITORS AND A PROCESS FOR THE PREPARATION THEREOF PDE3A, PDE3B, PDE5A CASP1 1699/4885ALDH1A1 1096/4885SMN1; SMN2 2882/4885
US-20160159792-A1 PROCESS FOR PREPARATION OF INDOLIZINE BASED DERIVATIVES AS POTENTIAL PHOSPHODIESTRASE 3 (PDE3) INHIBITORS PDE3A, PDE5A, PDE3B CASP1 1741/4885ALDH1A1 828/4885SMN1; SMN2 2125/4885

“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.