SCHEMBL4421052

SCHEMBL4421052

COC(=O)[C@@H](NC(=O)Cc1ccc(OC)cc1Cl)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
SMN1; SMN2 Q16637 1/20 0.50
THRB P10828 2/20 0.49
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
HTT P42858 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPSR1 Q6W5P4 2/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
CASP1 P29466 1/20 0.42
CASP3 P42574 1/20 0.42
CASP7 P55210 1/20 0.42
CASP8 Q14790 1/20 0.42
GAA P10253 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
CSNK1D P48730 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
SCHEMBL6485024 1.00 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2THRBMEN1KMT2A
SCHEMBL4428330 0.90 PRSS1 (0.47) ALDH1A1THRBMEN1KMT2AHTT
SCHEMBL4428332 0.90 PRSS1 (0.47) ALDH1A1THRBMEN1KMT2AHTT
SCHEMBL6475056 0.89 ALDH1A1 (0.55) ALDH1A1THRBMEN1KMT2AHTT
SCHEMBL4421836 0.89 ALDH1A1 (0.55) ALDH1A1THRBMEN1KMT2AHTT
SCHEMBL8556625 0.87 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2THRBMEN1KMT2A
SCHEMBL8657346 0.87 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2THRBMEN1KMT2A
SCHEMBL4432499 0.87 PTGS2 (0.50) ALDH1A1SMN1; SMN2THRBMEN1KMT2A
SCHEMBL6481400 0.87 PTGS2 (0.50) ALDH1A1SMN1; SMN2THRBMEN1KMT2A
SCHEMBL7958352 0.86 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2THRBMEN1KMT2A

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 ALDH1A1 792/4885SMN1; SMN2 3528/4885THRB 1717/4885

“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.