SCHEMBL21296739

SCHEMBL21296739

O=C1[N]c2occc2C(=O)N1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.34
PPOX P50336 1/20 0.32
PTPRC P08575 1/20 0.31
CASP3 P42574 1/20 0.30
CASP2 P42575 1/20 0.30
CASP7 P55210 1/20 0.30
CASP6 P55212 1/20 0.30
CASP8 Q14790 1/20 0.30

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
SCHEMBL555451 0.64 GSK3B (0.52) GSK3BPTPRCCASP3CASP2CASP7
SCHEMBL21296775 0.64 GSK3B (0.52) GSK3BPTPRCCASP3CASP2CASP7
SCHEMBL14157422 0.63 PTPRC (0.44) PTPRC
SCHEMBL21296767 0.62 PARP1 (0.35) GSK3BCASP3CASP2CASP7CASP6
Phthalimide SCHEMBL27431447 0.56 GSK3B (0.94) GSK3BPPOXPTPRCCASP3CASP2
SCHEMBL3475574 0.55 GSK3B (0.35) GSK3BPPOXCASP3CASP2CASP7
SCHEMBL16162323 0.55 PTPRC (0.62) PTPRC
Phthalimide SCHEMBL11040503 0.53 GSK3B (1.00) GSK3BPPOXPTPRCCASP3CASP2
Phthalimide SCHEMBL64 0.53 GSK3B (1.00) GSK3BPPOXPTPRCCASP3CASP2
Phthalimide SCHEMBL7771670 0.53 GSK3B (1.00) GSK3BPPOXPTPRCCASP3CASP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11530181-B2 IL-6 inhibitors and methods of treatment UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2022-12-20 US claimed
US-11530181-B2 IL-6 inhibitors and methods of treatment UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2022-12-20 US disclosed
US-20210206718-A1 IL-6 INHIBITORS AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2021-07-08 US disclosed
WO-2019165158-A1 IL-6 INHIBITORS AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2019-08-29 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 (2 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-11530181-B2 IL-6 inhibitors and methods of treatment IL6, IL6ST, IL2 GSK3B 1419/4885PPOX 1114/4885PTPRC 289/4885
US-20210206718-A1 IL-6 INHIBITORS AND METHODS OF TREATMENT IL6, IL6ST, IL2 GSK3B 1419/4885PPOX 1114/4885PTPRC 289/4885

“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.