Sugi Predict

Sugi Predict / Compounds / SCHEMBL29635259

SCHEMBL29635259

SCHEMBL29635259

[2H]C([2H])([2H])NS(=O)(=O)c1sc(N(C)C(=O)Cc2ccc(-c3cc(F)ccc3F)cc2)nc1C

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 20/20 0.77
▸ CA1 P00915 20/20 0.77
▸ CA2 P00918 20/20 0.77
▸ CA5A P35218 20/20 0.77
▸ CA9 Q16790 20/20 0.77
▸ CA5B Q9Y2D0 20/20 0.77

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
SCHEMBL1177291 0.87 CA12 (1.00) CA12CA1CA2CA5ACA9
SCHEMBL20897307 0.87 CA12 (0.86) CA12CA1CA2CA5ACA9
SCHEMBL30123365 0.87 CA12 (1.00) CA12CA1CA2CA5ACA9
SCHEMBL30123813 0.87 CA12 (0.86) CA12CA1CA2CA5ACA9
SCHEMBL19460967 0.87 CA12 (0.76) CA12CA1CA2CA5ACA9
SCHEMBL30123452 0.87 CA12 (0.84) CA12CA1CA2CA5ACA9
SCHEMBL20897294 0.87 CA12 (0.84) CA12CA1CA2CA5ACA9
SCHEMBL20904121 0.86 CA12 (0.75) CA12CA1CA2CA5ACA9
SCHEMBL29153714 0.86 CA12 (0.75) CA12CA1CA2CA5ACA9
SCHEMBL31213329 0.86 CA12 (0.83) CA12CA1CA2CA5ACA9

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
CN-116783171-A Deuterated aminothiazole compounds as antiviral compounds 创新分子股份有限公司 2023-09-19 — — CN disclosed
EP-4237414-A1 DEUTERATED AMINOTHIAZOLE COMPOUNDS AS ANTIVIRAL COMPOUNDS Innovative Molecules GmbH (DE) 2023-09-06 — — EP disclosed
WO-2022090409-A1 DEUTERATED AMINOTHIAZOLE COMPOUNDS AS ANTIVIRAL COMPOUNDS INNOVATIVE MOLECULES GMBH (DE) 2022-05-05 — — WO disclosed