SCHEMBL4426577

SCHEMBL4426577

COc1cc(Cl)ccc1CC(=O)NC(C(=O)O)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SDCBP O00560 2/20 0.50
SDC2 P34741 2/20 0.50
MAPK1 P28482 1/20 0.49
LPAR1 Q92633 2/20 0.48
TSHR P16473 1/20 0.48
GAA P10253 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
LMNA P02545 1/20 0.46
KDM4C Q9H3R0 1/20 0.45
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MBTPS1 Q14703 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
SCHEMBL4426579 1.00 SDCBP (0.50) SDCBPSDC2MAPK1LPAR1TSHR
SCHEMBL4425898 0.90 ALDH1A1 (0.50) LPAR1GAAKDM4EMEN1KMT2A
SCHEMBL6474964 0.90 ALDH1A1 (0.50) LPAR1GAAKDM4EMEN1KMT2A
SCHEMBL4435143 0.89 ALDH1A1 (0.46) MAPK1LPAR1GAAKDM4EMEN1
SCHEMBL4435148 0.89 ALDH1A1 (0.46) MAPK1LPAR1GAAKDM4EMEN1
SCHEMBL4422717 0.87 LPAR1 (0.50) LPAR1GAAKDM4EMEN1KMT2A
SCHEMBL4422715 0.87 LPAR1 (0.50) LPAR1GAAKDM4EMEN1KMT2A
SCHEMBL4422726 0.84 ATM (0.52) MAPK1LPAR1GAAKDM4EMEN1
SCHEMBL4422723 0.84 ATM (0.52) MAPK1LPAR1GAAKDM4EMEN1
SCHEMBL8558519 0.83 SDCBP (0.53) SDCBPSDC2TSHRHSD17B10ALDH1A1

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 SDCBP 4250/4885SDC2 4606/4885MAPK1 847/4885

“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.