SCHEMBL4435142

SCHEMBL4435142

COc1cccc(Cl)c1CC(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MBTPS1 Q14703 1/20 0.47
LMNA P02545 2/20 0.45
SDCBP O00560 2/20 0.44
SDC2 P34741 2/20 0.44
CASP1 P29466 2/20 0.44
CASP3 P42574 2/20 0.44
CASP7 P55210 2/20 0.44
CASP8 Q14790 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 1/20 0.43
THRB P10828 1/20 0.42
LPAR1 Q92633 1/20 0.41
SLC22A12 Q96S37 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL4435139 1.00 MBTPS1 (0.47) MBTPS1LMNASDCBPSDC2CASP1
SCHEMBL6482103 0.90 ALDH1A1 (0.50) LMNACASP1CASP3CASP7CASP8
SCHEMBL4421840 0.90 ALDH1A1 (0.50) LMNACASP1CASP3CASP7CASP8
SCHEMBL4421059 0.89 ALDH1A1 (0.45) LMNASMN1; SMN2ALDH1A1THRBPOLB
SCHEMBL4421060 0.89 ALDH1A1 (0.45) LMNASMN1; SMN2ALDH1A1THRBPOLB
SCHEMBL8744816 0.88 SDCBP (0.51) MBTPS1LMNASDCBPSDC2SMN1; SMN2
SCHEMBL8744811 0.88 SDCBP (0.51) MBTPS1LMNASDCBPSDC2SMN1; SMN2
SCHEMBL4431531 0.87 SHMT2 (0.51) LMNASMN1; SMN2ALDH1A1THRBLPAR1
SCHEMBL4431529 0.87 SHMT2 (0.51) LMNASMN1; SMN2ALDH1A1THRBLPAR1
SCHEMBL4423940 0.83 ATM (0.48) LMNAMAPK1ALDH1A1THRB

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 MBTPS1 858/4885LMNA 2427/4885SDCBP 4250/4885

“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.