SCHEMBL15917648

SCHEMBL15917648

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 1/20 0.44
HPGD P15428 4/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
EPHX1 P07099 1/20 0.38
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
KDM4E B2RXH2 1/20 0.36
TSHR P16473 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
SCHEMBL15917982 0.89 CASP1 (0.61) CASP1SMN1; SMN2LMNAHPGDALDH1A1
SCHEMBL15918134 0.89 CASP1 (0.56) CASP1SMN1; SMN2LMNAHTTHPGD
SCHEMBL15918195 0.86 CASP1 (0.54) CASP1LMNAHTTHPGDALDH1A1
SCHEMBL15918524 0.86 CASP1 (0.54) CASP1LMNAHPGDALDH1A1MAPT
SCHEMBL15917817 0.86 CASP1 (0.54) CASP1SMN1; SMN2LMNAHTTHPGD
SCHEMBL5245988 0.85 CASP1 (0.64) CASP1SMN1; SMN2LMNAHPGDALDH1A1
SCHEMBL15918701 0.84 CASP1 (0.52) CASP1HTTHPGDALDH1A1MAPT
SCHEMBL15917904 0.83 CASP1 (0.51) CASP1MAPTMEN1KMT2AGAA
SCHEMBL28180573 0.83 CASP1 (0.51) CASP1SMN1; SMN2HPGDALDH1A1MAPT
SCHEMBL13924144 0.81 SMN1; SMN2 (0.50) CASP1SMN1; SMN2LMNAHTTHPGD

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 17 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
CN-107235883-A Diaryl beta-lactam class compound and preparation method thereof and the purposes in pharmacy 复旦大学 2017-10-10 CN 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-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 (6 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 2411/4885SMN1; SMN2 2223/4885LMNA 1126/4885
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 2679/4885LMNA 2059/4885
US-20200392150-A1 Diaryl-B-Lactam Compound and Preparation Method and Pharmaceutical Use Thereof PEPD, SQLE, BACE1 CASP1 229/4885SMN1; SMN2 3127/4885LMNA 1058/4885
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 2882/4885LMNA 2032/4885
US-20220251039-A1 Diaryl-B-Lactam Compound and Preparation Method and Pharmaceutical Use Thereof PEPD, SQLE, BACE1 CASP1 229/4885SMN1; SMN2 3127/4885LMNA 1058/4885
US-20160159792-A1 PROCESS FOR PREPARATION OF INDOLIZINE BASED DERIVATIVES AS POTENTIAL PHOSPHODIESTRASE 3 (PDE3) INHIBITORS PDE3A, PDE5A, PDE3B CASP1 1741/4885SMN1; SMN2 2125/4885LMNA 1672/4885

“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.