SCHEMBL1622774

SCHEMBL1622774

CC(C)(C)OC(=O)n1c(B(O)O)cc2ccc(O[Si](C)(C)C(C)(C)C)cc21

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.41
CA9 Q16790 5/20 0.41
CA1 P00915 4/20 0.41
NR1H2 P55055 10/20 0.38
PREP P48147 2/20 0.35
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
NR1H3 Q13133 3/20 0.33
UBA6 A0AVT1 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32

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
SCHEMBL29764547 1.00 CA12 (0.41) CA12CA9CA1NR1H2PREP
SCHEMBL29764626 0.91 CA12 (0.40) CA12CA9CA1NR1H2PREP
SCHEMBL1623033 0.91 CA12 (0.40) CA12CA9CA1NR1H2PREP
SCHEMBL513258 0.84 NR1H2 (0.45) CA12CA9NR1H2NR1H3UBA6
SCHEMBL29953334 0.84 NR1H2 (0.45) CA12CA9NR1H2NR1H3UBA6
SCHEMBL1030670 0.81 KCNQ3 (0.39) CA12CA9NR1H2
SCHEMBL12996827 0.81 NR1H2 (0.43) CA12CA9NR1H2NR1H3UBA6
SCHEMBL3027093 0.81 CA12 (0.42) CA12CA9CA1NR1H2HSP90AA1
SCHEMBL15727386 0.81 USP30 (0.43) CA12CA9NR1H2NR1H3
SCHEMBL12829958 0.80 NR1H2 (0.47) CA12CA9CA1NR1H2NR1H3

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240165276-A1 SELECTIVE LIGANDS FOR TAU AGGREGATES CBD SOLUTIONS AB (SE) 2024-05-23 US disclosed
WO-2021074351-A1 SELECTIVE LIGANDS FOR TAU AGGREGATES KARIN & STEN MORTSTEDT CBD SOLUTIONS AB (SE) 2021-04-22 WO disclosed
EP-1753743-B1 PYRIDAZINONE DERIVATIVES, METHODS FOR PRODUCING THEM AND THEIR USE AS PHARMACEUTICALS SANOFI AVENTIS DEUTSCHLAND (DE) 2015-03-04 EP disclosed
US-7968546-B2 Pyridazinone kinase inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-06-28 US disclosed
US-7928231-B2 Thienopyrazoles AVENTIS PHARMACEUTICALS INC. (US) 2011-04-19 US disclosed
US-7928231-B2 Thienopyrazoles AVENTIS PHARMACEUTICALS INC. (US) 2011-04-19 US disclosed
EP-1682553-B1 THIENOPYRAZOLES AVENTIS PHARMA INC (US) 2010-05-19 EP disclosed
US-7709466-B2 Pyridazinone derivatives, methods for their production and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-05-04 US disclosed
US-20100056514-A1 THIENOPYRAZOLES AVENTIS PHARMACEUTICALS INC. (US) 2010-03-04 US disclosed
US-20100056514-A1 THIENOPYRAZOLES AVENTIS PHARMACEUTICALS INC. (US) 2010-03-04 US disclosed
US-7518000-B2 Thienopyrazoles AVENTIS PHARMACEUTICALS, INC. (US) 2009-04-14 US disclosed
US-7507734-B2 Pyridazinone derivatives AVENTIS PHARMA S.A. (FR) 2009-03-24 US disclosed
US-20070259870-A1 Novel Pyridazinone Derivatives AVENTIS PHARMA S.A. (FR) 2007-11-08 US disclosed
US-20070254937-A1 Thienopyrazoles AVENTIS PHARMACEUTICALS INC. (US) 2007-11-01 US disclosed
US-20070254937-A1 Thienopyrazoles AVENTIS PHARMACEUTICALS INC. (US) 2007-11-01 US disclosed
US-20070088041-A1 PYRIDAZINONE DERIVATIVES, METHODS FOR THEIR PRODUCTION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-04-19 US disclosed
EP-1753743-A1 PYRIDAZINONE DERIVATIVES, METHODS FOR PRODUCING THEM AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis Deutschland GmbH (DE) 2007-02-21 EP disclosed
EP-1604988-A1 Pyridazinone derivatives, methods for producing them and their use as pharmaceuticals Sanofi-Aventis Deutschland GmbH (DE) 2005-12-14 EP disclosed
WO-2005111018-A1 PYRIDAZINONE DERIVATIVES, METHODS FOR PRODUCING THEM AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-11-24 WO disclosed
EP-1598348-A1 Novel pyridazinone derivatives as inhibitors of CDK2 Aventis Pharma Deutschland GmbH (DE) 2005-11-23 EP 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 (5 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-20070088041-A1 PYRIDAZINONE DERIVATIVES, METHODS FOR THEIR PRODUCTION AND THEIR USE AS PHARMACEUTICALS GSK3B, GSK3A, PDXK CA12 4820/4885CA9 4618/4885CA1 4610/4885
US-20240165276-A1 SELECTIVE LIGANDS FOR TAU AGGREGATES MAPT, FUS, PSEN1 CA12 923/4885CA9 1121/4885CA1 400/4885
US-20100056514-A1 THIENOPYRAZOLES ITK, IL2, TYK2 CA12 4741/4885CA9 4843/4885CA1 4831/4885
US-20070259870-A1 Novel Pyridazinone Derivatives CDK2, CDK1, CDK20 CA12 4860/4885CA9 4800/4885CA1 4558/4885
US-20070254937-A1 Thienopyrazoles ITK, IL2, JAK2 CA12 4568/4885CA9 4791/4885CA1 4796/4885

“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.