SCHEMBL6735652

SCHEMBL6735652

COC(=O)C(C)CNC(=O)Cc1c(Cl)cccc1OC.COC(=O)[C@@H](NC(=O)Cc1c(Cl)cccc1OC)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
THRB P10828 2/20 0.42
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 2/20 0.39
CASP1 P29466 1/20 0.38
CASP3 P42574 1/20 0.38
CASP7 P55210 1/20 0.38
CASP8 Q14790 1/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTT P42858 1/20 0.37
LPAR1 Q92633 1/20 0.36

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
SCHEMBL6481422 0.91 ALDH1A1 (0.48) ALDH1A1THRBSMN1; SMN2LMNAMEN1
SCHEMBL6482103 0.91 ALDH1A1 (0.50) ALDH1A1THRBSMN1; SMN2LMNACASP1
SCHEMBL4421840 0.91 ALDH1A1 (0.50) ALDH1A1THRBSMN1; SMN2LMNACASP1
SCHEMBL6475274 0.82 SMN1; SMN2 (0.46) ALDH1A1THRBSMN1; SMN2LMNAMEN1
SCHEMBL4435139 0.82 MBTPS1 (0.47) ALDH1A1THRBSMN1; SMN2LMNACASP1
SCHEMBL4435142 0.82 MBTPS1 (0.47) ALDH1A1THRBSMN1; SMN2LMNACASP1
SCHEMBL6735648 0.82 ALDH1A1 (0.42) ALDH1A1THRBSMN1; SMN2LMNACASP1
SCHEMBL6735653 0.82 ALDH1A1 (0.42) ALDH1A1THRBSMN1; SMN2LMNACASP1
SCHEMBL6481137 0.81 ALDH1A1 (0.53) ALDH1A1THRBSMN1; SMN2LMNAHTT
SCHEMBL4425138 0.81 ALDH1A1 (0.53) ALDH1A1THRBSMN1; SMN2LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040019061-A1 1-H-3-arylpirrolidine-2,4-dione derivatives FISCHER REINER (DE) 2004-01-29 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 ALDH1A1 792/4885THRB 1717/4885SMN1; SMN2 3528/4885

“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.