SCHEMBL15917704

SCHEMBL15917704

C=C(C(=O)OCC)C(OC(C)=O)c1cccc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.45
MAPT P10636 3/20 0.42
GAA P10253 2/20 0.42
XPO1 O14980 1/20 0.42
KYAT1 Q16773 1/20 0.38
MAPK1 P28482 1/20 0.37
GPR35 Q9HC97 1/20 0.37
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
ALDH1A1 P00352 3/20 0.37
CYP3A4 P08684 1/20 0.37
NPC1 O15118 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL19031584 0.86 ALDH1A1 (0.39) LMNASMN1; SMN2ALDH1A1CYP3A4NPC1
SCHEMBL15916668 0.85 CASP1 (0.42) CASP1MAPTBRD4CREBBPLMNA
SCHEMBL15918471 0.85 CYP19A1 (0.40) CASP1MAPTMAPK1LMNASMN1; SMN2
SCHEMBL15918420 0.84 CASP1 (0.46) CASP1MAPTGAAKYAT1BRD4
SCHEMBL4013821 0.84 ALDH1A1 (0.53) CASP1MAPTGAASMN1; SMN2ALDH1A1
SCHEMBL27166964 0.82 ALDH1A1 (0.37) XPO1LMNASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL15918132 0.82 CASP1 (0.59) CASP1MAPTGAAXPO1KYAT1
SCHEMBL15917572 0.80 CASP1 (0.44) CASP1MAPTGAAMAPK1LMNA
SCHEMBL15917690 0.80 CASP1 (0.48) CASP1MAPTGAALMNASMN1; SMN2
SCHEMBL19423066 0.80 CASP1 (0.43) CASP1MAPTGAALMNASMN1; SMN2

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-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 claimed
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 claimed
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 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 2411/4885MAPT 3399/4885GAA 1044/4885
US-20140221651-A1 PYRIDOPYRIMIDINE BASED DERIVATIVES AS POTENTIAL PHOSPHODIESTERASE 3 (PDE3) INHIBITORS AND A PROCESS FOR THE PREPARATION THEREOF PDE3A, PDE3B, PDE5A CASP1 1428/4885MAPT 4225/4885GAA 571/4885
US-20160194319-A1 PYRIDOPYRIMIDINE BASED DERIVATIVES AS POTENTIAL PHOSPHODIESTERASE 3 (PDE3) INHIBITORS AND A PROCESS FOR THE PREPARATION THEREOF PDE3A, PDE3B, PDE5A CASP1 1699/4885MAPT 3006/4885GAA 1007/4885
US-20160159792-A1 PROCESS FOR PREPARATION OF INDOLIZINE BASED DERIVATIVES AS POTENTIAL PHOSPHODIESTRASE 3 (PDE3) INHIBITORS PDE3A, PDE5A, PDE3B CASP1 1741/4885MAPT 3625/4885GAA 1039/4885

“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.