SCHEMBL15917339

SCHEMBL15917339

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
DHODH Q02127 1/20 0.39
ALDH1A1 P00352 4/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.38
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 3/20 0.35
MAPK1 P28482 1/20 0.35
ACHE P22303 2/20 0.34
STAT3 P40763 1/20 0.34
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TSHR P16473 1/20 0.33

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
SCHEMBL15917572 0.90 CASP1 (0.44) CASP1SMN1; SMN2GAAHTTALDH1A1
SCHEMBL15918420 0.89 CASP1 (0.46) CASP1SMN1; SMN2GAAALDH1A1CYP3A4
SCHEMBL15918247 0.89 CASP1 (0.40) CASP1SMN1; SMN2ALDH1A1CYP3A4MAPT
SCHEMBL15916968 0.89 MEN1 (0.44) CASP1SMN1; SMN2GAAHTTALDH1A1
SCHEMBL15918058 0.89 MAPT (0.44) CASP1SMN1; SMN2GAAALDH1A1CYP3A4
SCHEMBL4013821 0.88 ALDH1A1 (0.53) CASP1SMN1; SMN2GAAALDH1A1CYP3A4
SCHEMBL15918203 0.87 ALOX15 (0.41) CASP1SMN1; SMN2MAPTRAB9AKMT2A
SCHEMBL15918366 0.86 NPSR1 (0.46) CASP1GAAALDH1A1MAPTPOLB
SCHEMBL28179798 0.86 CASP1 (0.39) CASP1SMN1; SMN2ALDH1A1CYP3A4MAPT
SCHEMBL17221835 0.85 ALDH1A1 (0.41) ALDH1A1CYP3A4MAPTRAB9ALMNA

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-20220251039-A1 Diaryl-B-Lactam Compound and Preparation Method and Pharmaceutical Use Thereof SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2022-08-11 US disclosed
EP-3438105-B1 DIARYL- -LACTAM COMPOUND AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF UNIV FUDAN (CN) 2022-01-05 EP disclosed
EP-3438105-B1 DIARYL- -LACTAM COMPOUND AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF UNIV FUDAN (CN) 2022-01-05 EP disclosed
US-20200392150-A1 Diaryl-B-Lactam Compound and Preparation Method and Pharmaceutical Use Thereof FUDAN UNIVERSITY (CN) 2020-12-17 US disclosed
US-20200392150-A1 Diaryl-B-Lactam Compound and Preparation Method and Pharmaceutical Use Thereof FUDAN UNIVERSITY (CN) 2020-12-17 US disclosed
EP-3438105-A1 DIARYL- -LACTAM COMPOUND AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF Fudan University (CN) 2019-02-06 EP disclosed
EP-3438105-A1 DIARYL- -LACTAM COMPOUND AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF Fudan University (CN) 2019-02-06 EP disclosed
WO-2017167183-A1 DIARYL-Β-LACTAM COMPOUND AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF 复旦大学 2017-10-05 WO disclosed
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-9518014-B2 Process for synthesis of ezetimibe and intermediates used in said process SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2016-12-13 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-20150166479-A1 PROCESS FOR SYNTHESIS OF EZETIMIBE AND INTERMEDIATES USED IN SAID PROCESS SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2015-06-18 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 (7 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-20150166479-A1 PROCESS FOR SYNTHESIS OF EZETIMIBE AND INTERMEDIATES USED IN SAID PROCESS HMGCR, COASY, APOB CASP1 4282/4885SMN1; SMN2 2297/4885GAA 319/4885
US-20140296530-A1 INDOLIZINONE BASED DERIVATIVES AS POTENTIAL PHOSPHODIESTERASE 3 (PDE3) INHIBITORS AND A PROCESS FOR THE PREPARATION THEREOF PDE3A, PDE3B, PDE5A CASP1 2411/4885SMN1; SMN2 2223/4885GAA 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 1428/4885SMN1; SMN2 2679/4885GAA 571/4885
US-20200392150-A1 Diaryl-B-Lactam Compound and Preparation Method and Pharmaceutical Use Thereof PEPD, SQLE, BACE1 CASP1 229/4885SMN1; SMN2 3127/4885GAA 132/4885
US-20160194319-A1 PYRIDOPYRIMIDINE BASED DERIVATIVES AS POTENTIAL PHOSPHODIESTERASE 3 (PDE3) INHIBITORS AND A PROCESS FOR THE PREPARATION THEREOF PDE3A, PDE3B, PDE5A CASP1 1699/4885SMN1; SMN2 2882/4885GAA 1007/4885
US-20220251039-A1 Diaryl-B-Lactam Compound and Preparation Method and Pharmaceutical Use Thereof PEPD, SQLE, BACE1 CASP1 229/4885SMN1; SMN2 3127/4885GAA 132/4885
US-20160159792-A1 PROCESS FOR PREPARATION OF INDOLIZINE BASED DERIVATIVES AS POTENTIAL PHOSPHODIESTRASE 3 (PDE3) INHIBITORS PDE3A, PDE5A, PDE3B CASP1 1741/4885SMN1; SMN2 2125/4885GAA 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.