SCHEMBL15917187

SCHEMBL15917187

C=C(C(=O)OCC)C(O)c1ccccc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 1.00
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RAB9A P51151 1/20 0.41
GPR35 Q9HC97 1/20 0.39
ADRB2 P07550 2/20 0.38
ADRB1 P08588 2/20 0.38
AOC3 Q16853 1/20 0.38
TSHR P16473 1/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
CYP2D6 P10635 1/20 0.37
NFKB1 P19838 1/20 0.37
HIF1A Q16665 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
SCHEMBL30425504 1.00 CASP1 (1.00) CASP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL29184357 0.83 CASP1 (0.71) CASP1MAPTMEN1KMT2AGPR35
SCHEMBL15918360 0.83 CASP1 (0.71) CASP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL4632797 0.83 CASP1 (0.70) CASP1ALDH1A1MEN1KMT2ARAB9A
SCHEMBL4632799 0.83 CASP1 (0.70) CASP1ALDH1A1MEN1KMT2ARAB9A
SCHEMBL15916867 0.82 CASP1 (0.70) CASP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL15917866 0.82 CASP1 (0.70) CASP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL15916408 0.81 CASP1 (0.67) CASP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL15918201 0.80 CASP1 (0.67) CASP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL27167055 0.79 CASP1 (0.66) CASP1ALDH1A1ADRB2ADRB1AOC3

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-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-20250283896-A1 PROBES AND METHODS FOR TARGETED VISUALIZATION OF NLRP3 INFLAMMASOMES UNIV VANDERBILT (US) 2025-09-11 US disclosed
US-20240268372-A1 Methods and Compositions for Extending Organ and Tissue Preservation MASSACHUSETTS GEN HOSPITAL (US) 2024-08-15 US disclosed
US-20240252477-A1 NLRP3 INFLAMMASOME-INHIBITING COMPOUNDS AND THE USE THEREOF UNIVERSITA' DEGLI STUDI DI TORINO (60%) (IT) 2024-08-01 US disclosed
EP-4334287-A1 NLRP3 INFLAMMASOME-INHIBITING COMPOUNDS AND THE USE THEREOF Università Degli Studi Di Torino (IT) 2024-03-13 EP disclosed
WO-2023211929-A1 PROBES AND METHODS FOR TARGETED VISUALIZATION OF NLRP3 INFLAMMASOMES VANDERBILT UNIVERSITY (US) 2023-11-02 WO disclosed
WO-2022241417-A1 METHODS AND COMPOSITIONS FOR EXTENDING ORGAN AND TISSUE PRESERVATION THE GENERAL HOSPITAL CORPORATION (US) 2022-11-17 WO disclosed
WO-2022234447-A1 NLRP3 INFLAMMASOME-INHIBITING COMPOUNDS AND THE USE THEREOF UNIVERSITA' DEGLI STUDI DI TORINO (IT) 2022-11-10 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 (5 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 330/4885MAPT 3399/4885
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 225/4885MAPT 4225/4885
US-20240252477-A1 NLRP3 INFLAMMASOME-INHIBITING COMPOUNDS AND THE USE THEREOF NLRP3, PYCARD, NLRP1 CASP1 4/4885ALDH1A1 1873/4885MAPT 990/4885
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 1096/4885MAPT 3006/4885
US-20160159792-A1 PROCESS FOR PREPARATION OF INDOLIZINE BASED DERIVATIVES AS POTENTIAL PHOSPHODIESTRASE 3 (PDE3) INHIBITORS PDE3A, PDE5A, PDE3B CASP1 1741/4885ALDH1A1 828/4885MAPT 3625/4885

“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.