SCHEMBL30484644

SCHEMBL30484644

COC(=O)[C@H]1N(C(=O)OC(C)(C)C)C[C@H](OC(=S)SC)C1(C)C

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.32
NR1H2 P55055 2/20 0.31
NR1H3 Q13133 1/20 0.31
PTPN1 P18031 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
SCHEMBL3430059 0.76 PDE4B (0.33) PDE4BNR1H2NR1H3PTPN1
SCHEMBL30484622 0.76 CHRM2 (0.36) PDE4BNR1H2NR1H3PTPN1
SCHEMBL882907 0.76 CHRM2 (0.36) PDE4BNR1H2NR1H3PTPN1
SCHEMBL8288617 0.76 CHRM2 (0.36) PDE4BNR1H2NR1H3PTPN1
SCHEMBL875863 0.76 CHRM2 (0.36) PDE4BNR1H2NR1H3PTPN1
SCHEMBL16749436 0.75 NR1H2 (0.35) PDE4BNR1H2NR1H3PTPN1
SCHEMBL21366881 0.67 PDE4B (0.32) PDE4BNR1H2NR1H3PTPN1
SCHEMBL19434629 0.67 NR1H2 (0.48) PDE4BNR1H2PTPN1
SCHEMBL3431313 0.67 HSD17B10 (0.39) NR1H2
SCHEMBL883199 0.67 NR1H2 (0.35) PDE4BNR1H2NR1H3PTPN1

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-20250223259-A1 PROTEASE INHIBITORS FOR TREATING OR PREVENTING CORONAVIRUS INFECTION MERCK SHARP & DOHME LLC (US) 2025-07-10 US disclosed
EP-4460508-A1 PROTEASE INHIBITORS FOR TREATING OR PREVENTING CORONAVIRUS INFECTION Merck Sharp & Dohme LLC (US) 2024-11-13 EP disclosed
WO-2023133174-A1 PROTEASE INHIBITORS FOR TREATING OR PREVENTING CORONAVIRUS INFECTION MERCK SHARP & DOHME LLC (US) 2023-07-13 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-20250223259-A1 PROTEASE INHIBITORS FOR TREATING OR PREVENTING CORONAVIRUS INFECTION ACE2, PRSS2, PRSS1 PDE4B 2770/4885NR1H2 1473/4885NR1H3 1572/4885

“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.