SCHEMBL4428330

SCHEMBL4428330

COc1ccc(CC(=O)NC(C(=O)O)C(C)C)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
THRB P10828 4/20 0.46
THRA P10827 3/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
SDCBP O00560 2/20 0.45
SDC2 P34741 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPK1 P28482 1/20 0.44
CASP1 P29466 3/20 0.44
CASP3 P42574 3/20 0.44
CASP7 P55210 3/20 0.44
CASP8 Q14790 3/20 0.44
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 1/20 0.43
CTSD P07339 1/20 0.42

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
SCHEMBL4428332 1.00 PRSS1 (0.47) PRSS1PRSS2PRSS3THRBTHRA
SCHEMBL4421052 0.90 ALDH1A1 (0.52) PRSS1PRSS2PRSS3THRBMEN1
SCHEMBL6485024 0.90 ALDH1A1 (0.52) PRSS1PRSS2PRSS3THRBMEN1
SCHEMBL4428853 0.89 ALDH1A1 (0.47) PRSS1PRSS2PRSS3THRBMEN1
SCHEMBL4428852 0.89 ALDH1A1 (0.47) PRSS1PRSS2PRSS3THRBMEN1
SCHEMBL4426812 0.87 PRSS1 (0.48) PRSS1PRSS2PRSS3THRBMEN1
SCHEMBL4426809 0.87 PRSS1 (0.48) PRSS1PRSS2PRSS3THRBMEN1
SCHEMBL6996825 0.86 MEN1 (0.47) THRBTHRAMEN1KMT2ASDCBP
SCHEMBL6996829 0.86 MEN1 (0.47) THRBTHRAMEN1KMT2ASDCBP
SCHEMBL8556999 0.84 SDCBP (0.47) THRBTHRASDCBPSDC2ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0741700-B1 1-H-3-ARYLPYRROLIDINE-2,4-DIONE DERIVATIVES AS PEST-CONTROL AGENTS BAYER CROPSCIENCE AG (DE) 2009-10-07 EP disclosed
US-6939888-B2 1-H-3-arylpirrolidine-2,4-dione derivatives BAYER AKTIENGESELLSCHAFT (DE) 2005-09-06 US disclosed
US-20040019061-A1 1-H-3-arylpirrolidine-2,4-dione derivatives FISCHER REINER (DE) 2004-01-29 US disclosed
US-6472419-B1 1-H-3-aryl-pyrrolidine-2, 4-dione derivatives as pest-control agents BAYER AKTIENGESELLSCHAFT (DE) 2002-10-29 US disclosed
EP-0741700-A1 1-H-3-ARYLPYRROLIDINE-2,4-DIONE DERIVATIVES AS PEST-CONTROL AGENTS BAYER AG (DE) 1996-11-13 EP disclosed
WO-1995020572-A1 1-H-3-ARYLPYRROLIDINE-2,4-DIONE DERIVATIVES AS PEST-CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1995-08-03 WO 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 (1 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-20040019061-A1 1-H-3-arylpirrolidine-2,4-dione derivatives PRXL2A, DDT, CYP4B1 PRSS1 1638/4885PRSS2 933/4885PRSS3 1497/4885

“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.