SCHEMBL21067285

SCHEMBL21067285

O=C(O)c1ccc(B(O)O)cc1NS(=O)(=O)c1cc(S(=O)(=O)c2ccccc2)cs1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACLY P53396 11/20 0.54
MCL1 Q07820 5/20 0.45
GAB1 Q13480 1/20 0.41
METAP2 P50579 1/20 0.39

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
SCHEMBL1687290 0.80 GAB1 (0.45) ACLYGAB1
SCHEMBL4316537 0.79 GAB1 (0.44) GAB1
SCHEMBL3556126 0.77 MEN1 (0.47) ACLYGAB1METAP2
SCHEMBL3552834 0.75 MEN1 (0.45) ACLYGAB1METAP2
SCHEMBL3557735 0.74 SLC16A3 (0.45) ACLYGAB1METAP2
SCHEMBL15880546 0.72 CA2 (0.52) GAB1
SCHEMBL14087505 0.71 GAB1 (0.51) GAB1
SCHEMBL3557484 0.70 HDAC1 (0.45) ACLYMCL1GAB1METAP2
SCHEMBL3558197 0.70 SLC16A3 (0.60) ACLYGAB1
SCHEMBL21999779 0.70 ACLY (1.00) ACLYMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed