SCHEMBL2114690

SCHEMBL2114690

CC(C)(C)[Si](C)(C)Oc1ccc(B(O)O)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.43
CA1 P00915 4/20 0.43
CA9 Q16790 4/20 0.43
PREP P48147 4/20 0.35
HSP90AA1 P07900 2/20 0.34
HSP90AB1 P08238 1/20 0.34

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
SCHEMBL29951222 1.00 CA12 (0.43) CA12CA1CA9PREPHSP90AA1
SCHEMBL2022605 0.82 CA12 (0.44) CA12CA1CA9PREPHSP90AA1
SCHEMBL29951251 0.79 CA1 (0.42) CA12CA1CA9PREPHSP90AA1
SCHEMBL2025934 0.79 CA1 (0.42) CA12CA1CA9PREPHSP90AA1
SCHEMBL12577662 0.79 CA12 (0.44) CA12CA1CA9PREPHSP90AA1
SCHEMBL17836741 0.78 CA12 (0.46) CA12CA1CA9PREPHSP90AA1
SCHEMBL17593129 0.77 CA12 (0.43) CA12CA1CA9PREPHSP90AA1
SCHEMBL24455832 0.77 CA12 (0.45) CA12CA1CA9PREPHSP90AA1
SCHEMBL20535255 0.77 CA12 (0.45) CA12CA1CA9PREPHSP90AA1
SCHEMBL29653234 0.77 CA12 (0.45) CA12CA1CA9PREPHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118076348-A N-acylhydrazone compounds capable of inhibiting NAV 1.7 and/or NAV 1.8, methods of making, compositions, uses, methods of treatment and kits using the same 欧罗法玛实验室股份公司 2024-05-24 CN disclosed
WO-2023010191-A1 N-ACYLHYDRAZONE COMPOUNDS CAPABLE OF INHIBITING NAV1.7 AND/OR NAV1.8, PROCESSES FOR THE PREPARATION THEREOF, COMPOSITIONS, USES, METHODS FOR TREATMENT USING SAME, AND KITS EUROFARMA LABORATÓRIOS S.A. (BR) 2023-02-09 WO disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
US-8158665-B2 Farnesoid X receptor agonists GLAXOSMITHKLINE LLC (US) 2012-04-17 US disclosed
EP-1962838-B1 FARNESOID X RECEPTOR AGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-28 EP disclosed
US-20100160398-A1 Farnesoid X Receptor Agonists GLAXOSMITHKLINE LLC 2010-06-24 US disclosed
US-7705028-B2 Farnesoid X receptor agonists GLAXOSMITHKLINE LLC (US) 2010-04-27 US disclosed
EP-1962838-A2 FARNESOID X RECEPTOR AGONISTS Smithkline Beecham Corporation (US) 2008-09-03 EP disclosed
US-20080167356-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-10 US disclosed
WO-2007076260-A2 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 WO disclosed
US-7226945-B2 Estrogen receptor-β ligands ASTRAZENECA AB (SE) 2007-06-05 US disclosed
US-20050043350-A9 Estrogen Receptor-beta ligands ASTRAZENECA AB (SE) 2005-02-24 US disclosed
US-20040039015-A1 Estrogen Receptor-beta ligands BARLAAM BERNARD (FR) 2004-02-26 US disclosed
EP-1326593-A1 ESTROGEN RECEPTOR-$g(b) LIGANDS AstraZeneca AB (SE) 2003-07-16 EP disclosed
WO-2002030407-A1 ESTROGEN RECEPTOR-β LIGANDS ASTRAZENECA AB (SE) 2002-04-18 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 (4 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-20050043350-A9 Estrogen Receptor-beta ligands ESR2, GPER1, ESR1 CA12 2609/4885CA1 2806/4885CA9 3770/4885
US-20080167356-A1 FARNESOID X RECEPTOR AGONISTS NR1H4, NR1H3, NR1H2 CA12 4667/4885CA1 4634/4885CA9 4354/4885
US-20040039015-A1 Estrogen Receptor-beta ligands ESR2, GPER1, ESRRG CA12 1789/4885CA1 1819/4885CA9 3565/4885
US-20100160398-A1 Farnesoid X Receptor Agonists NR1H4, NR1H3, NR1H2 CA12 4667/4885CA1 4634/4885CA9 4354/4885

“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.