SCHEMBL21752944

SCHEMBL21752944

O=C(N[C@@H]1CCC(=O)N(CC(F)F)C1=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.49
MMP2 P08253 1/20 0.47
PREP P48147 2/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45
DPP4 P27487 3/20 0.45
DPP7 Q9UHL4 3/20 0.45
ACE P12821 1/20 0.45
NAAA Q02083 1/20 0.44
TSHR P16473 1/20 0.44
KCNH2 Q12809 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
SCHEMBL8342335 0.81 XIAP (0.49) CASP1PREPALDH1A1GAANAAA
SCHEMBL8344263 0.81 MMP2 (0.49) CASP1MMP2PREPALDH1A1GAA
SCHEMBL28777589 0.81 CASP1 (0.48) CASP1PREPALDH1A1GAAACE
SCHEMBL8339321 0.80 ALDH1A1 (0.46) CASP1PREPALDH1A1GAAMEN1
SCHEMBL5355014 0.77 CASP1 (0.47) CASP1MMP2PREPALDH1A1GAA
SCHEMBL6697127 0.77 MMP2 (0.46) CASP1MMP2PREPALDH1A1GAA
SCHEMBL21752950 0.77 CASP1 (0.48) CASP1PREPALDH1A1GAAMEN1
SCHEMBL23882012 0.76 CASP1 (0.49) CASP1PREPALDH1A1GAAMEN1
SCHEMBL425375 0.76 ALDH1A1 (0.58) PREPALDH1A1GAANAAATSHR
SCHEMBL6216047 0.75 SMN1; SMN2 (0.59) PREPALDH1A1GAAMEN1KMT2A

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-20210309649-A1 SUBSTITUTED GLUTARIMIDE DERIVATIVES BASF SE (DE) 2021-10-07 US disclosed
EP-3841099-A1 SUBSTITUTED GLUTARIMIDE DERIVATIVES BASF SE (DE) 2021-06-30 EP disclosed
WO-2020038821-A1 SUBSTITUTED GLUTARIMIDE DERIVATIVES BASF SE (DE) 2020-02-27 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-20210309649-A1 SUBSTITUTED GLUTARIMIDE DERIVATIVES GLRX3, GCDH, GCLC CASP1 976/4885MMP2 2152/4885PREP 1345/4885

“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.