SCHEMBL6475208

SCHEMBL6475208

COC(=O)C(CC(C)C)NC(=O)Cc1ccc(OC)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 9/20 0.53
TAS1R1 Q7RTX1 9/20 0.53
CLPP Q16740 2/20 0.50
NOS3 P29474 3/20 0.49
NOS1 P29475 3/20 0.49
NOS2 P35228 3/20 0.49
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
THRB P10828 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44

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
SCHEMBL4435078 1.00 TAS1R3 (0.53) TAS1R3TAS1R1CLPPNOS3NOS1
SCHEMBL4435087 0.90 PRSS1 (0.51) CLPPMEN1ALDH1A1THRBHTT
SCHEMBL4435085 0.90 PRSS1 (0.51) CLPPMEN1ALDH1A1THRBHTT
SCHEMBL8651617 0.88 TAS1R3 (0.52) TAS1R3TAS1R1NOS3NOS1NOS2
SCHEMBL8555232 0.88 TAS1R3 (0.52) TAS1R3TAS1R1NOS3NOS1NOS2
SCHEMBL7964610 0.86 TAS1R3 (0.54) TAS1R3TAS1R1MEN1KMT2A
SCHEMBL6994293 0.86 TAS1R3 (0.54) TAS1R3TAS1R1MEN1KMT2A
SCHEMBL4432499 0.86 PTGS2 (0.50) MEN1ALDH1A1THRBHTTKMT2A
SCHEMBL6481400 0.86 PTGS2 (0.50) MEN1ALDH1A1THRBHTTKMT2A
SCHEMBL4421052 0.84 ALDH1A1 (0.52) TAS1R3TAS1R1MEN1ALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 TAS1R3 1447/4885TAS1R1 1668/4885CLPP 1393/4885

“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.