SCHEMBL21494496

SCHEMBL21494496

CCOc1cc([C@@H](CC(=O)OC)N2C(=O)c3cccc(N)c3C2=O)ccc1OC

nearest known ligand 0.87

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TNF P01375 8/20 0.87
PDE4A P27815 13/20 0.80
PDE4B Q07343 13/20 0.80
PDE4C Q08493 13/20 0.80
PDE4D Q08499 13/20 0.80
HTR2B P41595 1/20 0.62

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
SCHEMBL21494520 1.00 TNF (0.87) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL7748789 1.00 TNF (0.87) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL21494454 0.93 PDE4A (0.80) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL537289 0.92 PDE4A (0.76) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL537150 0.92 PDE4A (0.76) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL825616 0.92 TNF (0.73) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL23000612 0.91 PDE4A (0.80) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL21494487 0.91 PDE4A (0.80) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL21494489 0.91 PDE4A (0.80) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL21494476 0.91 TNF (0.87) TNFPDE4APDE4BPDE4CPDE4D

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
WO-2019201255-A1 ISOINDOLE DERIVATIVE 天津合美医药科技有限公司 2019-10-24 WO claimed
US-11767295-B2 Isoindole derivative TIANJIN HEMAY PHARMACEUTICAL CO., LTD. (CN) 2023-09-26 US disclosed
WO-2019201255-A1 ISOINDOLE DERIVATIVE 天津合美医药科技有限公司 2019-10-24 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-11767295-B2 Isoindole derivative COX4I1, ALDH1A2, GDI2 TNF 4588/4885PDE4A 1740/4885PDE4B 1378/4885

“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.