SCHEMBL759123

SCHEMBL759123

COC(=O)c1cccc2cc(B(O)O)n(C(=O)OC(C)(C)C)c12

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 13/20 0.40
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
MAPT P10636 1/20 0.34
NR1H3 Q13133 2/20 0.34
BACE1 P56817 1/20 0.34
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL30016078 1.00 NR1H2 (0.40) NR1H2CA12CA9SLC6A2SLC6A4
SCHEMBL29954034 0.83 BACE1 (0.41) NR1H2CA12CA9NR1H3BACE1
SCHEMBL13280504 0.83 BACE1 (0.41) NR1H2CA12CA9NR1H3BACE1
SCHEMBL13515301 0.83 NR1H2 (0.40) NR1H2CA12CA9NR1H3
SCHEMBL4242068 0.81 NR1H2 (0.40) NR1H2CA12CA9NR1H3BACE1
SCHEMBL2873473 0.81 NR1H2 (0.40) NR1H2CA12CA9NR1H3
SCHEMBL759757 0.81 NR1H2 (0.40) NR1H2CA12CA9MAPT
SCHEMBL40961 0.76 NR1H2 (0.54) NR1H2CA12CA9NR1H3
SCHEMBL20874957 0.75 ACLY (0.36) NR1H2CA12CA9MAPT
SCHEMBL24671812 0.75 KDM4E (0.38) NR1H2CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117120429-A KHK inhibitor 吉利德科学公司 2023-11-24 CN disclosed
US-20120053345-A1 Indazole Compounds ABBOTT LABORATORIES (US) 2012-03-01 US disclosed
US-20120053345-A1 Indazole Compounds ABBOTT LABORATORIES (US) 2012-03-01 US disclosed
US-20120053345-A1 Indazole Compounds ABBOTT LABORATORIES (US) 2012-03-01 US disclosed
US-8008481-B2 Indazole compounds ABBVIE INC. 2011-08-30 US disclosed
US-8008481-B2 Indazole compounds ABBVIE INC. 2011-08-30 US disclosed
US-8008481-B2 Indazole compounds ABBVIE INC. 2011-08-30 US disclosed
EP-2001480-A2 INDAZOLE COMPOUNDS Abbott Laboratories (US) 2008-12-17 EP disclosed
US-20070282101-A1 Indazole compounds ABBVIE INC. 2007-12-06 US disclosed
US-20070282101-A1 Indazole compounds ABBVIE INC. 2007-12-06 US disclosed
US-20070282101-A1 Indazole compounds ABBVIE INC. 2007-12-06 US disclosed
WO-2007117465-A2 INDAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2007-10-18 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 (2 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-20070282101-A1 Indazole compounds CYP3A43, CYP3A7, UGT1A1 NR1H2 408/4885CA12 3232/4885CA9 1733/4885
US-20120053345-A1 Indazole Compounds CYP3A43, CYP3A7, UGT1A1 NR1H2 408/4885CA12 3232/4885CA9 1733/4885

“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.